 Entering Gaussian System, Link 0=g16
 Input=NiComplex_B3LYPDBJ_def2SVPDr.in
 Output=NiComplex_B3LYPDBJ_def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Complexes_Cheeseman/Gau-16365.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Complexes_Cheeseman/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     16382.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 6-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=64GB
 %chk=NiComplex_B3LYPDBJ_def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=(UltraFineGrid) SCF=(N
 oSymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep  6 11:32:15 2021, MaxMem=  8589934592 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "NiComplex_B3LYPDBJ_def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  Ni                                               -0.000000000000     -0.000000000000      0.652500000000
  N                                                -0.082892000000      1.531465000000      1.779512000000
  N                                                 0.035135000000      1.258858000000     -0.736700000000
  N                                                -0.035135000000     -1.258858000000     -0.736700000000
  N                                                 0.082892000000     -1.531465000000      1.779512000000
  C                                                -0.174405000000      1.886424000000      3.066827000000
  H                                                -0.190593000000      1.149673000000      3.853964000000
  C                                                -0.246672000000      3.286447000000      3.185987000000
  H                                                -0.325652000000      3.840549000000      4.106914000000
  C                                                -0.197796000000      3.805625000000      1.891409000000
  H                                                -0.229262000000      4.843857000000      1.601943000000
  C                                                -0.097056000000      2.701930000000      1.030922000000
  C                                                -0.000000000000      2.502585000000     -0.361601000000
  H                                                 0.056610000000      3.325630000000     -1.068678000000
  C                                                 0.316614000000      0.700637000000     -2.048574000000
  H                                                 1.404478000000      0.553540000000     -2.107013000000
  C                                                -0.124490000000      1.490760000000     -3.271684000000
  H                                                 0.338173000000      2.479802000000     -3.282004000000
  H                                                -1.208016000000      1.640740000000     -3.234017000000
  C                                                 0.267203000000      0.718040000000     -4.538312000000
  H                                                 1.359244000000      0.694817000000     -4.613383000000
  H                                                -0.093288000000      1.247887000000     -5.422265000000
  C                                                -0.267203000000     -0.718040000000     -4.538312000000
  H                                                 0.093288000000     -1.247887000000     -5.422265000000
  H                                                -1.359244000000     -0.694817000000     -4.613383000000
  C                                                 0.124490000000     -1.490760000000     -3.271684000000
  H                                                 1.208016000000     -1.640740000000     -3.234017000000
  H                                                -0.338173000000     -2.479802000000     -3.282004000000
  C                                                -0.316614000000     -0.700637000000     -2.048574000000
  H                                                -1.404478000000     -0.553540000000     -2.107013000000
  C                                                -0.000000000000     -2.502585000000     -0.361601000000
  H                                                -0.056610000000     -3.325630000000     -1.068678000000
  C                                                 0.097056000000     -2.701930000000      1.030922000000
  C                                                 0.197796000000     -3.805625000000      1.891409000000
  H                                                 0.229262000000     -4.843857000000      1.601943000000
  C                                                 0.246672000000     -3.286447000000      3.185987000000
  H                                                 0.325652000000     -3.840549000000      4.106914000000
  C                                                 0.174405000000     -1.886424000000      3.066827000000
  H                                                 0.190593000000     -1.149673000000      3.853964000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     39 NQM=       39 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          58          14          14          14          14          12           1          12           1          12
 AtmWgt=  57.9353471  14.0030740  14.0030740  14.0030740  14.0030740  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           0           2           2           2           2           0           1           0           1           0
 AtZEff=  25.4800000   4.5500000   4.5500000   4.5500000   4.5500000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000
 NQMom=    0.0000000   2.0440000   2.0440000   2.0440000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.4037610   0.4037610   0.4037610   0.4037610   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=  28.0000000   7.0000000   7.0000000   7.0000000   7.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1          12           1          12           1           1          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           1           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1          12           1           1          12           1           1          12           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           0           1           1           0           1           1           0           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39
 IAtWgt=          12           1          12          12           1          12           1          12           1
 AtmWgt=  12.0000000   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           1           0           0           1           0           1           0           1
 AtZEff=   3.6000000   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Sep  6 11:32:16 2021, MaxMem=  8589934592 cpu:               1.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         28           0       -0.000000   -0.000000    0.652500
      2          7           0       -0.082892    1.531465    1.779512
      3          7           0        0.035135    1.258858   -0.736700
      4          7           0       -0.035135   -1.258858   -0.736700
      5          7           0        0.082892   -1.531465    1.779512
      6          6           0       -0.174405    1.886424    3.066827
      7          1           0       -0.190593    1.149673    3.853964
      8          6           0       -0.246672    3.286447    3.185987
      9          1           0       -0.325652    3.840549    4.106914
     10          6           0       -0.197796    3.805625    1.891409
     11          1           0       -0.229262    4.843857    1.601943
     12          6           0       -0.097056    2.701930    1.030922
     13          6           0       -0.000000    2.502585   -0.361601
     14          1           0        0.056610    3.325630   -1.068678
     15          6           0        0.316614    0.700637   -2.048574
     16          1           0        1.404478    0.553540   -2.107013
     17          6           0       -0.124490    1.490760   -3.271684
     18          1           0        0.338173    2.479802   -3.282004
     19          1           0       -1.208016    1.640740   -3.234017
     20          6           0        0.267203    0.718040   -4.538312
     21          1           0        1.359244    0.694817   -4.613383
     22          1           0       -0.093288    1.247887   -5.422265
     23          6           0       -0.267203   -0.718040   -4.538312
     24          1           0        0.093288   -1.247887   -5.422265
     25          1           0       -1.359244   -0.694817   -4.613383
     26          6           0        0.124490   -1.490760   -3.271684
     27          1           0        1.208016   -1.640740   -3.234017
     28          1           0       -0.338173   -2.479802   -3.282004
     29          6           0       -0.316614   -0.700637   -2.048574
     30          1           0       -1.404478   -0.553540   -2.107013
     31          6           0       -0.000000   -2.502585   -0.361601
     32          1           0       -0.056610   -3.325630   -1.068678
     33          6           0        0.097056   -2.701930    1.030922
     34          6           0        0.197796   -3.805625    1.891409
     35          1           0        0.229262   -4.843857    1.601943
     36          6           0        0.246672   -3.286447    3.185987
     37          1           0        0.325652   -3.840549    4.106914
     38          6           0        0.174405   -1.886424    3.066827
     39          1           0        0.190593   -1.149673    3.853964
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Ni   0.000000
     2  N    1.903264   0.000000
     3  N    1.875056   2.533687   0.000000
     4  N    1.875056   3.757593   2.518696   0.000000
     5  N    1.903264   3.067413   3.757593   2.533687   0.000000
     6  C    3.068874   1.338488   3.860643   4.937511   3.661331
     7  H    3.406970   2.112041   4.597507   5.186462   3.400977
     8  C    4.156938   2.254985   4.424704   6.007663   5.029817
     9  H    5.175794   3.287492   5.500536   7.039101   5.868751
    10  C    4.007094   2.279809   3.667047   5.708100   5.345637
    11  H    4.941351   3.320376   4.288517   6.538354   6.385429
    12  C    2.730027   1.389452   2.285699   4.337760   4.302836
    13  C    2.700247   2.352511   1.299535   3.780263   4.567800
    14  H    3.745060   3.369076   2.093375   4.597408   5.630653
    15  C    2.808369   3.937527   1.453222   2.384190   4.437471
    16  H    3.145453   4.274773   2.061633   2.689801   4.604228
    17  C    4.199653   5.051531   2.550569   3.740926   5.889943
    18  H    4.663057   5.166777   2.839209   4.538228   6.463310
    19  H    4.388205   5.139389   2.815644   4.002488   6.071639
    20  C    5.247048   6.379587   3.846894   4.295554   6.708885
    21  H    5.482685   6.606727   4.135224   4.559584   6.888724
    22  H    6.202314   7.207365   4.687337   5.314289   7.721491
    23  C    5.247048   6.708885   4.295554   3.846894   6.379587
    24  H    6.202314   7.721491   5.314289   4.687337   7.207365
    25  H    5.482685   6.888724   4.559584   4.135224   6.606727
    26  C    4.199653   5.889943   3.740926   2.550569   5.051531
    27  H    4.388205   6.071639   4.002488   2.815644   5.139389
    28  H    4.663057   6.463310   4.538228   2.839209   5.166777
    29  C    2.808369   4.437471   2.384190   1.453222   3.937527
    30  H    3.145453   4.604228   2.689801   2.061633   4.274773
    31  C    2.700247   4.567800   3.780263   1.299535   2.352511
    32  H    3.745060   5.630653   4.597408   2.093375   3.369076
    33  C    2.730027   4.302836   4.337760   2.285699   1.389452
    34  C    4.007094   5.345637   5.708100   3.667047   2.279809
    35  H    4.941351   6.385429   6.538354   4.288517   3.320376
    36  C    4.156938   5.029817   6.007663   4.424704   2.254985
    37  H    5.175794   5.868751   7.039101   5.500536   3.287492
    38  C    3.068874   3.661331   4.937511   3.860643   1.338488
    39  H    3.406970   3.400977   5.186462   4.597507   2.112041
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.078262   0.000000
     8  C    1.406942   2.239451   0.000000
     9  H    2.218842   2.706111   1.077670   0.000000
    10  C    2.250664   3.302386   1.395660   2.219466   0.000000
    11  H    3.300804   4.326672   2.221491   2.700148   1.078289
    12  C    2.194525   3.223014   2.237934   3.287923   1.403114
    13  C    3.487720   4.431443   3.641520   4.675877   2.610190
    14  H    4.384870   5.387792   4.265641   5.215172   3.009524
    15  C    5.273947   5.941283   5.865521   6.939855   5.042721
    16  H    5.571182   6.199425   6.181499   7.239521   5.397288
    17  C    6.351044   7.134113   6.703800   7.746334   5.658755
    18  H    6.397069   7.278109   6.544282   7.542440   5.367427
    19  H    6.389785   7.177449   6.696938   7.714078   5.654844
    20  C    7.707028   8.415829   8.156321   9.210943   7.147777
    21  H    7.921971   8.620026   8.374108   9.422212   7.376572
    22  H    8.513459   9.277259   8.847670   9.878317   7.748727
    23  C    8.039278   8.597937   8.700640   9.773642   7.861913
    24  H    9.053190   9.585265   9.735387  10.810779   8.894523
    25  H    8.188545   8.744361   8.827143   9.883392   7.994702
    26  C    7.188284   7.605657   8.041205   9.114230   7.403586
    27  H    7.352048   7.744804   8.222514   9.289022   7.609809
    28  H    7.707036   8.007303   8.665616   9.723328   8.141898
    29  C    5.734146   6.187042   6.580453   7.649345   5.986984
    30  H    5.851079   6.317254   6.640923   7.686662   6.037034
    31  C    5.572067   5.580887   6.794050   7.765889   6.701395
    32  H    6.654456   6.654224   7.864977   8.843826   7.722490
    33  C    5.027086   4.784052   6.373626   7.241853   6.570818
    34  C    5.824050   5.343917   7.222947   7.977872   7.621523
    35  H    6.899675   6.416407   8.296840   9.055480   8.664855
    36  C    5.191349   4.507389   6.591383   7.209004   7.222947
    37  H    5.842094   5.023227   7.209004   7.708662   7.977872
    38  C    3.788938   3.157640   5.191349   5.842094   5.824050
    39  H    3.157640   2.330728   4.507389   5.023227   5.343917
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.220674   0.000000
    13  C    3.064249   1.410063   0.000000
    14  H    3.085280   2.195663   1.086538   0.000000
    15  C    5.548921   3.695889   2.488602   2.813963   0.000000
    16  H    5.901888   4.088621   2.969478   3.252594   1.099318
    17  C    5.916627   4.469911   3.083484   2.872765   1.521468
    18  H    5.455610   4.340518   2.940006   2.386109   2.165004
    19  H    5.882553   4.533218   3.233087   3.021064   2.147921
    20  C    7.414282   5.923248   4.549826   4.345369   2.490289
    21  H    7.639906   6.165022   4.815934   4.602496   2.768638
    22  H    7.892337   6.614974   5.214719   4.826303   3.442280
    23  C    8.284858   6.537699   5.280979   5.338022   2.924428
    24  H    9.303380   7.568415   6.299608   6.314438   3.902360
    25  H    8.401431   6.707398   5.490772   5.543787   3.366606
    26  C    8.000297   6.011668   4.942761   5.296740   2.516969
    27  H    8.215977   6.225086   5.184324   5.538886   2.771627
    28  H    8.803453   6.746096   5.785092   6.225569   3.473512
    29  C    6.638924   4.594449   3.634110   4.160567   1.537708
    30  H    6.653524   4.706811   3.789317   4.273275   2.130383
    31  C    7.607777   5.388461   5.005170   5.871222   3.634110
    32  H    8.596659   6.382902   5.871222   6.652224   4.160567
    33  C    7.574394   5.407345   5.388461   6.382902   4.594449
    34  C    8.664855   6.570818   6.701395   7.722490   5.986984
    35  H    9.698559   7.574394   7.607777   8.596659   6.638924
    36  C    8.296840   6.373626   6.794050   7.864977   6.580453
    37  H    9.055480   7.241853   7.765889   8.843826   7.649345
    38  C    6.899675   5.027086   5.572067   6.654456   5.734146
    39  H    6.416407   4.784052   5.580887   6.654224   6.187042
                   16         17         18         19         20
    16  H    0.000000
    17  C    2.138360   0.000000
    18  H    2.495615   1.091956   0.000000
    19  H    3.045861   1.094505   1.759838   0.000000
    20  C    2.689176   1.534557   2.164983   2.174588   0.000000
    21  H    2.510756   2.152939   2.449761   3.064024   1.094865
    22  H    3.703555   2.164477   2.506889   2.487043   1.091817
    23  C    3.212888   2.550198   3.488694   2.854848   1.532291
    24  H    3.994403   3.488927   4.305386   3.850453   2.162519
    25  H    3.934266   2.846317   3.838229   2.716679   2.155720
    26  C    2.678431   2.991898   3.976321   3.403422   2.550198
    27  H    2.474591   3.403422   4.211626   4.074963   2.854848
    28  H    3.690339   3.976321   5.005509   4.211626   3.488694
    29  C    2.130383   2.516969   3.473512   2.771627   2.924428
    30  H    3.019248   2.678431   3.690339   2.474591   3.212888
    31  C    3.789317   4.942761   5.785092   5.184324   5.280979
    32  H    4.273275   5.296740   6.225569   5.538886   5.338022
    33  C    4.706811   6.011668   6.746096   6.225086   6.537699
    34  C    6.037034   7.403586   8.141898   7.609809   7.861913
    35  H    6.653524   8.000297   8.803453   8.215977   8.284858
    36  C    6.640923   8.041205   8.665616   8.222514   8.700640
    37  H    7.686662   9.114230   9.723328   9.289022   9.773642
    38  C    5.851079   7.188284   7.707036   7.352048   8.039278
    39  H    6.317254   7.605657   8.007303   7.744804   8.597937
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.752149   0.000000
    23  C    2.155720   2.162519   0.000000
    24  H    2.455816   2.502738   1.091817   0.000000
    25  H    3.053074   2.455816   1.094865   1.752149   0.000000
    26  C    2.846317   3.488927   1.534557   2.164477   2.152939
    27  H    2.716679   3.850453   2.174588   2.487043   3.064024
    28  H    3.838229   4.305386   2.164983   2.506889   2.449761
    29  C    3.366606   3.902360   2.490289   3.442280   2.768638
    30  H    3.934266   3.994403   2.689176   3.703555   2.510756
    31  C    5.490772   6.299608   4.549826   5.214719   4.815934
    32  H    5.543787   6.314438   4.345369   4.826303   4.602496
    33  C    6.707398   7.568415   5.923248   6.614974   6.165022
    34  C    7.994702   8.894523   7.147777   7.748727   7.376572
    35  H    8.401431   9.303380   7.414282   7.892337   7.639906
    36  C    8.827143   9.735387   8.156321   8.847670   8.374108
    37  H    9.883392  10.810779   9.210943   9.878317   9.422212
    38  C    8.188545   9.053190   7.707028   8.513459   7.921971
    39  H    8.744361   9.585265   8.415829   9.277259   8.620026
                   26         27         28         29         30
    26  C    0.000000
    27  H    1.094505   0.000000
    28  H    1.091956   1.759838   0.000000
    29  C    1.521468   2.147921   2.165004   0.000000
    30  H    2.138360   3.045861   2.495615   1.099318   0.000000
    31  C    3.083484   3.233087   2.940006   2.488602   2.969478
    32  H    2.872765   3.021064   2.386109   2.813963   3.252594
    33  C    4.469911   4.533218   4.340518   3.695889   4.088621
    34  C    5.658755   5.654844   5.367427   5.042721   5.397288
    35  H    5.916627   5.882553   5.455610   5.548921   5.901888
    36  C    6.703800   6.696938   6.544282   5.865521   6.181499
    37  H    7.746334   7.714078   7.542440   6.939855   7.239521
    38  C    6.351044   6.389785   6.397069   5.273947   5.571182
    39  H    7.134113   7.177449   7.278109   5.941283   6.199425
                   31         32         33         34         35
    31  C    0.000000
    32  H    1.086538   0.000000
    33  C    1.410063   2.195663   0.000000
    34  C    2.610190   3.009524   1.403114   0.000000
    35  H    3.064249   3.085280   2.220674   1.078289   0.000000
    36  C    3.641520   4.265641   2.237934   1.395660   2.221491
    37  H    4.675877   5.215172   3.287923   2.219466   2.700148
    38  C    3.487720   4.384870   2.194525   2.250664   3.300804
    39  H    4.431443   5.387792   3.223014   3.302386   4.326672
                   36         37         38         39
    36  C    0.000000
    37  H    1.077670   0.000000
    38  C    1.406942   2.218842   0.000000
    39  H    2.239451   2.706111   1.078262   0.000000
 Stoichiometry    C16H18N4Ni
 Framework group  C2[C2(Ni),X(C16H18N4)]
 Deg. of freedom    56
 Full point group                 C2      NOp   2
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C2      NOp   2
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         28           0        0.000000    0.000000    0.652500
      2          7           0       -0.082892    1.531465    1.779512
      3          7           0        0.035135    1.258858   -0.736700
      4          7           0       -0.035135   -1.258858   -0.736700
      5          7           0        0.082892   -1.531465    1.779512
      6          6           0       -0.174405    1.886424    3.066827
      7          1           0       -0.190593    1.149673    3.853964
      8          6           0       -0.246672    3.286447    3.185987
      9          1           0       -0.325652    3.840549    4.106914
     10          6           0       -0.197796    3.805625    1.891409
     11          1           0       -0.229262    4.843857    1.601943
     12          6           0       -0.097056    2.701930    1.030922
     13          6           0        0.000000    2.502585   -0.361601
     14          1           0        0.056610    3.325630   -1.068678
     15          6           0        0.316614    0.700637   -2.048574
     16          1           0        1.404478    0.553540   -2.107013
     17          6           0       -0.124490    1.490760   -3.271684
     18          1           0        0.338173    2.479802   -3.282004
     19          1           0       -1.208016    1.640740   -3.234017
     20          6           0        0.267203    0.718040   -4.538312
     21          1           0        1.359244    0.694817   -4.613383
     22          1           0       -0.093288    1.247887   -5.422265
     23          6           0       -0.267203   -0.718040   -4.538312
     24          1           0        0.093288   -1.247887   -5.422265
     25          1           0       -1.359244   -0.694817   -4.613383
     26          6           0        0.124490   -1.490760   -3.271684
     27          1           0        1.208016   -1.640740   -3.234017
     28          1           0       -0.338173   -2.479802   -3.282004
     29          6           0       -0.316614   -0.700637   -2.048574
     30          1           0       -1.404478   -0.553540   -2.107013
     31          6           0       -0.000000   -2.502585   -0.361601
     32          1           0       -0.056610   -3.325630   -1.068678
     33          6           0        0.097056   -2.701930    1.030922
     34          6           0        0.197796   -3.805625    1.891409
     35          1           0        0.229262   -4.843857    1.601943
     36          6           0        0.246672   -3.286447    3.185987
     37          1           0        0.325652   -3.840549    4.106914
     38          6           0        0.174405   -1.886424    3.066827
     39          1           0        0.190593   -1.149673    3.853964
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3745811           0.2799131           0.1619734
 Leave Link  202 at Mon Sep  6 11:32:17 2021, MaxMem=  8589934592 cpu:               1.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      9     11     14     16     18     19     21     22     24
 Centers:      25     27     28     30     32     35     37     39
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      8     10     12     13     15     17     20     23     26
 Centers:      29     31     33     34     36     38
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      4      5
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 6 1.00
     Exponent=  7.1074803211D+04 Coefficients=  1.4260386729D-03
     Exponent=  1.0672020941D+04 Coefficients=  1.0928236994D-02
     Exponent=  2.4281389007D+03 Coefficients=  5.4212626938D-02
     Exponent=  6.8553595148D+02 Coefficients=  1.8874768902D-01
     Exponent=  2.2310072863D+02 Coefficients=  3.8324616985D-01
     Exponent=  7.6842014042D+01 Coefficients=  2.9550637144D-01
 S 3 1.00
     Exponent=  1.4871122016D+02 Coefficients= -1.1014443059D-01
     Exponent=  1.7459154987D+01 Coefficients=  6.4521426988D-01
     Exponent=  7.1625280665D+00 Coefficients=  4.4797838103D-01
 S 3 1.00
     Exponent=  1.2556137125D+01 Coefficients= -2.2645403224D-01
     Exponent=  2.0735740488D+00 Coefficients=  7.2320959286D-01
     Exponent=  8.5382640602D-01 Coefficients=  4.4868026476D-01
 S 1 1.00
     Exponent=  1.0536766271D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.8134087688D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  9.1673608662D+02 Coefficients=  9.3439635610D-03
     Exponent=  2.1606139913D+02 Coefficients=  6.9737374902D-02
     Exponent=  6.8383914817D+01 Coefficients=  2.7073495012D-01
     Exponent=  2.4593843952D+01 Coefficients=  5.3078301549D-01
     Exponent=  9.1392960204D+00 Coefficients=  3.4410229438D-01
 P 3 1.00
     Exponent=  4.7193371746D+00 Coefficients=  3.4076082016D-01
     Exponent=  1.8161849234D+00 Coefficients=  5.6580169611D-01
     Exponent=  6.7840750720D-01 Coefficients=  2.3616717361D-01
 P 1 1.00
     Exponent=  1.4658800000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.8905548722D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  4.7093832108D+01 Coefficients=  2.8982316948D-02
     Exponent=  1.3146463975D+01 Coefficients=  1.5494995950D-01
     Exponent=  4.4170548925D+00 Coefficients=  3.7633115111D-01
     Exponent=  1.4771565078D+00 Coefficients=  4.7365096014D-01
 D 1 1.00
     Exponent=  4.3735921792D-01 Coefficients=  3.1247837833D-01
 F 1 1.00
     Exponent=  2.1740000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   313 symmetry adapted cartesian basis functions of A   symmetry.
 There are   310 symmetry adapted cartesian basis functions of B   symmetry.
 There are   290 symmetry adapted basis functions of A   symmetry.
 There are   288 symmetry adapted basis functions of B   symmetry.
   578 basis functions,   904 primitive gaussians,   623 cartesian basis functions
    85 alpha electrons       85 beta electrons
       nuclear repulsion energy      2160.8498980136 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   39 NActive=   39 NUniq=   20 SFac= 3.80D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0911534976 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2160.7587445159 Hartrees.
 Leave Link  301 at Mon Sep  6 11:32:18 2021, MaxMem=  8589934592 cpu:               7.8 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   578 RedAO= T EigKep=  1.75D-05  NBF=   290   288
 NBsUse=   578 1.00D-06 EigRej= -1.00D+00 NBFU=   290   288
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   617   617   617   617   617 MxSgAt=    39 MxSgA2=    39.
 Leave Link  302 at Mon Sep  6 11:32:19 2021, MaxMem=  8589934592 cpu:              11.7 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep  6 11:32:20 2021, MaxMem=  8589934592 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "NiComplex_B3LYPDBJ_def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (A)
                 (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (A) (A) (B) (B) (A) (A) (A)
                 (B)
       Virtual   (B) (A) (B) (A) (B) (B) (A) (A) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (B) (B) (A) (A) (B) (A) (B) (A) (A) (B) (A) (A)
                 (B) (A) (B) (B) (A) (B) (A) (B) (B) (A) (B) (A)
                 (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (A)
                 (B) (B) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (B) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (A) (A) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A) (B)
                 (A) (B) (A) (B) (A) (A) (B) (B) (A) (B) (B) (A)
                 (A) (B) (B) (A) (A) (B) (A) (A) (B) (A) (B) (A)
                 (B) (B) (A) (B) (B) (B) (A) (A) (A) (B) (A) (A)
                 (B) (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (B) (A) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (B)
                 (B) (A) (A) (B) (A) (B) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (A) (B) (B) (B) (A) (B) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (A) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A) (A)
                 (B) (B) (B) (A) (A) (A) (B) (A) (B) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (A) (B) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (B) (A) (B) (B) (A) (B) (A)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (B)
                 (A) (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (B)
                 (A) (A) (B) (A) (A) (B) (B) (A) (A) (B) (B) (A)
                 (B) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (B) (B) (B) (A) (A) (B) (A)
                 (B) (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (B)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (B) (A)
                 (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A) (B)
                 (A) (A) (B) (B) (B) (A) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (A) (B) (A) (B) (B) (B) (B)
                 (B)
 The electronic state of the initial guess is 1-A.
 Leave Link  401 at Mon Sep  6 11:32:23 2021, MaxMem=  8589934592 cpu:              22.0 elap:               2.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  8589934592 LenX=  8589145964 LenY=  8588757212
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 910000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 E= -2347.32379634963    
 DIIS: error= 3.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -2347.32379634963     IErMin= 1 ErrMin= 3.30D-03
 ErrMax= 3.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-02 BMatP= 1.57D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.140 Goal=   None    Shift=    0.000
 GapD=    0.140 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.87D-03 MaxDP=7.32D-01              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.65D-03    CP:  1.23D+00
 E= -2347.32873517614     Delta-E=       -0.004938826508 Rises=F Damp=F
 DIIS: error= 8.60D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -2347.32873517614     IErMin= 1 ErrMin= 3.30D-03
 ErrMax= 8.60D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-02 BMatP= 1.57D-02
 IDIUse=3 WtCom= 9.14D-01 WtEn= 8.60D-02
 Coeff-Com:  0.465D+00 0.535D+00
 Coeff-En:   0.219D+00 0.781D+00
 Coeff:      0.444D+00 0.556D+00
 Gap=     0.134 Goal=   None    Shift=    0.000
 RMSDP=1.76D-03 MaxDP=7.43D-02 DE=-4.94D-03 OVMax= 5.46D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.67D-03    CP:  1.22D+00  9.30D-01
 E= -2347.30974030687     Delta-E=        0.018994869269 Rises=F Damp=F
 DIIS: error= 1.43D-02 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -2347.32873517614     IErMin= 1 ErrMin= 3.30D-03
 ErrMax= 1.43D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.83D-02 BMatP= 1.33D-02
 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00
 Coeff-En:   0.000D+00 0.693D+00 0.307D+00
 Coeff:      0.000D+00 0.693D+00 0.307D+00
 Gap=     0.139 Goal=   None    Shift=    0.000
 RMSDP=9.53D-04 MaxDP=4.75D-02 DE= 1.90D-02 OVMax= 2.48D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.70D-04    CP:  1.23D+00  9.86D-01  5.11D-01
 E= -2347.33462850081     Delta-E=       -0.024888193941 Rises=F Damp=F
 DIIS: error= 3.53D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -2347.33462850081     IErMin= 1 ErrMin= 3.30D-03
 ErrMax= 3.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-03 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.65D-01 WtEn= 3.53D-02
 Coeff-Com: -0.102D-01 0.448D+00 0.144D+00 0.418D+00
 Coeff-En:   0.000D+00 0.252D+00 0.000D+00 0.748D+00
 Coeff:     -0.987D-02 0.441D+00 0.139D+00 0.430D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=2.92D-04 MaxDP=1.11D-02 DE=-2.49D-02 OVMax= 6.62D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.81D-05    CP:  1.23D+00  1.00D+00  3.62D-01  7.09D-01
 E= -2347.33605401941     Delta-E=       -0.001425518605 Rises=F Damp=F
 DIIS: error= 1.76D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -2347.33605401941     IErMin= 5 ErrMin= 1.76D-04
 ErrMax= 1.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-05 BMatP= 2.55D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.76D-03
 Coeff-Com: -0.499D-02 0.153D+00 0.153D-01 0.290D+00 0.547D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.498D-02 0.153D+00 0.153D-01 0.289D+00 0.548D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=3.05D-05 MaxDP=1.49D-03 DE=-1.43D-03 OVMax= 3.18D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.29D-05    CP:  1.23D+00  1.00D+00  3.63D-01  7.53D-01  7.67D-01
 E= -2347.33608758660     Delta-E=       -0.000033567182 Rises=F Damp=F
 DIIS: error= 7.43D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -2347.33608758660     IErMin= 6 ErrMin= 7.43D-05
 ErrMax= 7.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-06 BMatP= 4.10D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.197D-02 0.455D-01-0.102D-01 0.145D+00 0.377D+00 0.445D+00
 Coeff:     -0.197D-02 0.455D-01-0.102D-01 0.145D+00 0.377D+00 0.445D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=5.34D-04 DE=-3.36D-05 OVMax= 1.10D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.71D-06    CP:  1.23D+00  1.00D+00  3.62D-01  7.67D-01  7.89D-01
                    CP:  5.55D-01
 E= -2347.33609430764     Delta-E=       -0.000006721045 Rises=F Damp=F
 DIIS: error= 2.58D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -2347.33609430764     IErMin= 7 ErrMin= 2.58D-05
 ErrMax= 2.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.37D-07 BMatP= 7.42D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.745D-03 0.135D-01-0.919D-02 0.653D-01 0.194D+00 0.301D+00
 Coeff-Com:  0.436D+00
 Coeff:     -0.745D-03 0.135D-01-0.919D-02 0.653D-01 0.194D+00 0.301D+00
 Coeff:      0.436D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=4.85D-06 MaxDP=1.92D-04 DE=-6.72D-06 OVMax= 3.34D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.75D-06    CP:  1.23D+00  1.00D+00  3.61D-01  7.70D-01  7.83D-01
                    CP:  5.92D-01  6.13D-01
 E= -2347.33609514679     Delta-E=       -0.000000839148 Rises=F Damp=F
 DIIS: error= 5.86D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -2347.33609514679     IErMin= 8 ErrMin= 5.86D-06
 ErrMax= 5.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-08 BMatP= 9.37D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-03 0.125D-02-0.378D-02 0.154D-01 0.546D-01 0.101D+00
 Coeff-Com:  0.230D+00 0.602D+00
 Coeff:     -0.135D-03 0.125D-02-0.378D-02 0.154D-01 0.546D-01 0.101D+00
 Coeff:      0.230D+00 0.602D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=1.62D-06 MaxDP=6.61D-05 DE=-8.39D-07 OVMax= 6.92D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.78D-07    CP:  1.23D+00  1.00D+00  3.61D-01  7.71D-01  7.82D-01
                    CP:  5.87D-01  6.07D-01  6.51D-01
 E= -2347.33609519230     Delta-E=       -0.000000045508 Rises=F Damp=F
 DIIS: error= 2.42D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -2347.33609519230     IErMin= 9 ErrMin= 2.42D-06
 ErrMax= 2.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-09 BMatP= 5.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-04-0.112D-02-0.809D-03-0.518D-03 0.561D-02 0.163D-01
 Coeff-Com:  0.692D-01 0.316D+00 0.595D+00
 Coeff:      0.155D-04-0.112D-02-0.809D-03-0.518D-03 0.561D-02 0.163D-01
 Coeff:      0.692D-01 0.316D+00 0.595D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=5.23D-07 MaxDP=2.55D-05 DE=-4.55D-08 OVMax= 2.89D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.03D-07    CP:  1.23D+00  1.00D+00  3.61D-01  7.71D-01  7.84D-01
                    CP:  5.88D-01  6.06D-01  6.63D-01  8.41D-01
 E= -2347.33609519784     Delta-E=       -0.000000005539 Rises=F Damp=F
 DIIS: error= 8.16D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -2347.33609519784     IErMin=10 ErrMin= 8.16D-07
 ErrMax= 8.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-10 BMatP= 5.51D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-04-0.753D-03 0.175D-04-0.204D-02-0.286D-02-0.188D-02
 Coeff-Com:  0.110D-01 0.959D-01 0.303D+00 0.598D+00
 Coeff:      0.223D-04-0.753D-03 0.175D-04-0.204D-02-0.286D-02-0.188D-02
 Coeff:      0.110D-01 0.959D-01 0.303D+00 0.598D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=1.34D-07 MaxDP=4.64D-06 DE=-5.54D-09 OVMax= 6.75D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.94D-08    CP:  1.23D+00  1.00D+00  3.61D-01  7.71D-01  7.84D-01
                    CP:  5.89D-01  6.09D-01  6.80D-01  8.40D-01  8.15D-01
 E= -2347.33609519831     Delta-E=       -0.000000000476 Rises=F Damp=F
 DIIS: error= 2.90D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -2347.33609519831     IErMin=11 ErrMin= 2.90D-07
 ErrMax= 2.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.70D-11 BMatP= 5.82D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-04-0.395D-03 0.861D-04-0.129D-02-0.237D-02-0.273D-02
 Coeff-Com:  0.379D-03 0.310D-01 0.138D+00 0.365D+00 0.472D+00
 Coeff:      0.132D-04-0.395D-03 0.861D-04-0.129D-02-0.237D-02-0.273D-02
 Coeff:      0.379D-03 0.310D-01 0.138D+00 0.365D+00 0.472D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=5.10D-08 MaxDP=2.29D-06 DE=-4.76D-10 OVMax= 3.00D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.19D-08    CP:  1.23D+00  1.00D+00  3.61D-01  7.71D-01  7.84D-01
                    CP:  5.89D-01  6.11D-01  6.82D-01  8.42D-01  8.01D-01
                    CP:  7.34D-01
 E= -2347.33609519864     Delta-E=       -0.000000000330 Rises=F Damp=F
 DIIS: error= 7.24D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -2347.33609519864     IErMin=12 ErrMin= 7.24D-08
 ErrMax= 7.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.87D-12 BMatP= 8.70D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.418D-05-0.953D-04 0.446D-04-0.378D-03-0.892D-03-0.135D-02
 Coeff-Com: -0.239D-02-0.244D-02 0.176D-01 0.761D-01 0.229D+00 0.685D+00
 Coeff:      0.418D-05-0.953D-04 0.446D-04-0.378D-03-0.892D-03-0.135D-02
 Coeff:     -0.239D-02-0.244D-02 0.176D-01 0.761D-01 0.229D+00 0.685D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=1.85D-08 MaxDP=9.32D-07 DE=-3.30D-10 OVMax= 1.11D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.24D-08    CP:  1.23D+00  1.00D+00  3.61D-01  7.71D-01  7.84D-01
                    CP:  5.89D-01  6.10D-01  6.82D-01  8.48D-01  8.13D-01
                    CP:  7.66D-01  8.45D-01
 E= -2347.33609519851     Delta-E=        0.000000000131 Rises=F Damp=F
 DIIS: error= 3.60D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -2347.33609519864     IErMin=13 ErrMin= 3.60D-08
 ErrMax= 3.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-12 BMatP= 6.87D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.452D-06 0.492D-05 0.950D-05-0.129D-04-0.114D-03-0.325D-03
 Coeff-Com: -0.132D-02-0.591D-02-0.107D-01-0.157D-01 0.509D-01 0.364D+00
 Coeff-Com:  0.620D+00
 Coeff:      0.452D-06 0.492D-05 0.950D-05-0.129D-04-0.114D-03-0.325D-03
 Coeff:     -0.132D-02-0.591D-02-0.107D-01-0.157D-01 0.509D-01 0.364D+00
 Coeff:      0.620D+00
 Gap=     0.136 Goal=   None    Shift=    0.000
 RMSDP=7.89D-09 MaxDP=3.27D-07 DE= 1.31D-10 OVMax= 4.65D-07

 SCF Done:  E(RB3LYP) =  -2347.33609520     A.U. after   13 cycles
            NFock= 13  Conv=0.79D-08     -V/T= 2.0053
 KE= 2.334892207669D+03 PE=-9.866194345364D+03 EE= 3.023207297980D+03
 Leave Link  502 at Mon Sep  6 11:42:03 2021, MaxMem=  8589934592 cpu:            4631.1 elap:             579.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   578
 NBasis=   578 NAE=    85 NBE=    85 NFC=     0 NFV=     0
 NROrb=    578 NOA=    85 NOB=    85 NVA=   493 NVB=   493

 **** Warning!!: The largest alpha MO coefficient is  0.29708516D+02

 Leave Link  801 at Mon Sep  6 11:42:04 2021, MaxMem=  8589934592 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        11924 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    8589934592 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          39
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.98D-13 8.33D-09 XBig12= 1.00D+00 6.27D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.98D-13 8.33D-09 XBig12= 9.82D-01 2.86D-01.
     11 vectors produced by pass  2 Test12= 6.98D-13 8.33D-09 XBig12= 1.00D+00 2.74D-01.
     11 vectors produced by pass  3 Test12= 6.98D-13 8.33D-09 XBig12= 5.80D-01 1.18D-01.
     11 vectors produced by pass  4 Test12= 6.98D-13 8.33D-09 XBig12= 1.80D-01 6.45D-02.
     11 vectors produced by pass  5 Test12= 6.98D-13 8.33D-09 XBig12= 3.60D-02 3.87D-02.
     11 vectors produced by pass  6 Test12= 6.98D-13 8.33D-09 XBig12= 5.71D-03 1.24D-02.
     11 vectors produced by pass  7 Test12= 6.98D-13 8.33D-09 XBig12= 3.94D-04 3.33D-03.
     11 vectors produced by pass  8 Test12= 6.98D-13 8.33D-09 XBig12= 2.19D-05 1.14D-03.
     11 vectors produced by pass  9 Test12= 6.98D-13 8.33D-09 XBig12= 1.20D-06 2.96D-04.
     11 vectors produced by pass 10 Test12= 6.98D-13 8.33D-09 XBig12= 5.77D-08 4.82D-05.
     11 vectors produced by pass 11 Test12= 6.98D-13 8.33D-09 XBig12= 1.66D-09 8.39D-06.
     11 vectors produced by pass 12 Test12= 6.98D-13 8.33D-09 XBig12= 5.49D-11 1.02D-06.
      5 vectors produced by pass 13 Test12= 6.98D-13 8.33D-09 XBig12= 1.59D-12 2.23D-07.
      2 vectors produced by pass 14 Test12= 6.98D-13 8.33D-09 XBig12= 2.03D-13 3.46D-08.
      1 vectors produced by pass 15 Test12= 6.98D-13 8.33D-09 XBig12= 2.95D-14 1.75D-08.
      1 vectors produced by pass 16 Test12= 6.98D-13 8.33D-09 XBig12= 3.24D-14 1.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-13
 Solved reduced A of dimension   152 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.143635D+03
      2 -0.116935D+02  0.359195D+03
      3  0.000000D+00  0.000000D+00  0.385695D+03
 Isotropic polarizability for W=    0.085645      296.18 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.234083D+03
      2   0.000000D+00  0.000000D+00  0.267391D+03
      3   0.000000D+00  0.000000D+00 -0.333075D+02
      4   0.000000D+00  0.000000D+00 -0.711897D+02
      5  -0.910142D+02 -0.548898D+02  0.000000D+00
      6  -0.942710D+02  0.688361D+03  0.000000D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.469959D+02 -0.480507D+03  0.000000D+00
      2   0.471950D+02 -0.120281D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.130114D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.163000D+02  0.420970D+03  0.000000D+00
      2  -0.143069D+03  0.230813D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.393812D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.899118D+01  0.143066D+03  0.000000D+00
      2   0.143066D+03  0.943251D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.464881D+02
 OR G Eigenvalues:   -97.6343   -46.4881   200.9506  Iso=   -18.9428
 Eigenvectors:
   (1)   0.801809  -0.597581   0.000000
   (2)  -0.000000   0.000000   1.000000
   (3)   0.597581   0.801809   0.000000
 w=    0.085645 a.u., Optical Rotation Beta=    -18.9428 au.
 Molar Mass =    325.0550 grams/mole, [Alpha] ( 5320.0 A) =    -2763.83 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  167331 ScalPx= 8.58D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  167331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.76D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.16D-13 2.78D-09 XBig12= 1.00D+00 4.99D-01.
     30 vectors produced by pass  1 Test12= 1.16D-13 2.78D-09 XBig12= 3.34D-01 1.67D-01.
     30 vectors produced by pass  2 Test12= 1.16D-13 2.78D-09 XBig12= 2.03D-02 2.93D-02.
     30 vectors produced by pass  3 Test12= 1.16D-13 2.78D-09 XBig12= 1.34D-03 6.85D-03.
     30 vectors produced by pass  4 Test12= 1.16D-13 2.78D-09 XBig12= 3.21D-05 6.23D-04.
     30 vectors produced by pass  5 Test12= 1.16D-13 2.78D-09 XBig12= 9.70D-07 1.21D-04.
     30 vectors produced by pass  6 Test12= 1.16D-13 2.78D-09 XBig12= 1.60D-08 2.10D-05.
     30 vectors produced by pass  7 Test12= 1.16D-13 2.78D-09 XBig12= 2.16D-10 2.47D-06.
     29 vectors produced by pass  8 Test12= 1.16D-13 2.78D-09 XBig12= 2.06D-12 1.86D-07.
      7 vectors produced by pass  9 Test12= 1.16D-13 2.78D-09 XBig12= 1.52D-14 1.18D-08.
      5 vectors produced by pass 10 Test12= 1.16D-13 2.78D-09 XBig12= 2.13D-14 1.00D-08.
      5 vectors produced by pass 11 Test12= 1.16D-13 2.78D-09 XBig12= 2.81D-13 3.32D-08.
      3 vectors produced by pass 12 Test12= 1.16D-13 2.78D-09 XBig12= 1.27D-13 2.21D-08.
      3 vectors produced by pass 13 Test12= 1.16D-13 2.78D-09 XBig12= 6.66D-13 6.63D-08.
      2 vectors produced by pass 14 Test12= 1.16D-13 2.78D-09 XBig12= 3.02D-13 8.84D-08.
      1 vectors produced by pass 15 Test12= 1.16D-13 2.78D-09 XBig12= 1.11D-13 2.35D-08.
      1 vectors produced by pass 16 Test12= 1.16D-13 2.78D-09 XBig12= 1.50D-14 1.55D-08.
      1 vectors produced by pass 17 Test12= 1.16D-13 2.78D-09 XBig12= 5.68D-15 7.65D-09.
      1 vectors produced by pass 18 Test12= 1.16D-13 2.78D-09 XBig12= 2.57D-15 4.10D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 9.99D-16
 Solved reduced A of dimension   298 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  167331 ScalPx= 6.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  167331 ScalPx= 6.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  167331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.60D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143635D+03 -0.116935D+02  0.000000D+00
      2  -0.116935D+02  0.359195D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.385695D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.469959D+02 -0.480507D+03  0.000000D+00
      2   0.471950D+02 -0.120281D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.130114D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.234083D+03
      2   0.000000D+00  0.000000D+00  0.267391D+03
      3   0.000000D+00  0.000000D+00 -0.333075D+02
      4   0.000000D+00  0.000000D+00 -0.711897D+02
      5  -0.910142D+02 -0.548898D+02  0.000000D+00
      6  -0.942710D+02  0.688361D+03  0.000000D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.209519D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00  0.115908D+02  0.000000D+00  0.000000D+00
      3  -0.209519D+01  0.115908D+02  0.000000D+00  0.617117D+00 -0.560179D+01
                 6             7             8             9            10 
      1   0.617117D+00  0.655192D+00  0.111911D+02  0.000000D+00 -0.128606D+00
      2  -0.560179D+01  0.111911D+02  0.327186D+03  0.000000D+00 -0.901549D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00  0.145733D+02  0.460712D+00
                11            12            13            14            15 
      1  -0.901549D+01  0.460712D+00  0.150880D+00  0.732755D+01  0.101294D+01
      2  -0.284839D+01 -0.337010D+01  0.732755D+01  0.326772D+03 -0.347283D+01
      3  -0.337010D+01 -0.197411D+02  0.101294D+01 -0.347283D+01 -0.111922D+01
                16            17            18            19            20 
      1  -0.515225D+00  0.801898D+01 -0.120240D+01  0.990288D+00  0.765502D+01
      2   0.801898D+01  0.162149D+03 -0.100964D+02  0.765502D+01  0.409286D+01
      3  -0.120240D+01 -0.100964D+02  0.403764D+02 -0.254058D+01  0.469927D+01
                21            22            23            24            25 
      1  -0.254058D+01 -0.159670D+01  0.166797D+02  0.632239D+01 -0.162773D+01
      2   0.469927D+01  0.166797D+02  0.230002D+03 -0.621025D+02 -0.694414D+01
      3   0.283509D+02  0.632239D+01 -0.621025D+02 -0.481989D+02  0.373466D+01
                26            27            28            29            30 
      1  -0.694414D+01  0.373466D+01 -0.990288D+00 -0.765502D+01 -0.254058D+01
      2  -0.431220D+03 -0.247066D+01 -0.765502D+01 -0.409286D+01  0.469927D+01
      3  -0.247066D+01 -0.521818D+02 -0.254058D+01  0.469927D+01 -0.283509D+02
                31            32            33            34            35 
      1   0.159670D+01 -0.166797D+02  0.632239D+01 -0.162773D+01 -0.694414D+01
      2  -0.166797D+02 -0.230002D+03 -0.621025D+02 -0.694414D+01 -0.431220D+03
      3   0.632239D+01 -0.621025D+02  0.481989D+02 -0.373466D+01  0.247066D+01
                36            37            38            39            40 
      1  -0.373466D+01  0.128606D+00  0.901549D+01  0.460712D+00 -0.150880D+00
      2   0.247066D+01  0.901549D+01  0.284839D+01 -0.337010D+01 -0.732755D+01
      3  -0.521818D+02  0.460712D+00 -0.337010D+01  0.197411D+02  0.101294D+01
                41            42            43            44            45 
      1  -0.732755D+01  0.101294D+01 -0.515225D+00  0.801898D+01  0.120240D+01
      2  -0.326772D+03 -0.347283D+01  0.801898D+01  0.162149D+03  0.100964D+02
      3  -0.347283D+01  0.111922D+01  0.120240D+01  0.100964D+02  0.403764D+02
                46            47            48            49            50 
      1  -0.110121D+01  0.382806D+01  0.771951D+01 -0.243628D+01 -0.414089D+00
      2   0.382806D+01 -0.232041D+02 -0.396940D+00 -0.414089D+00  0.111459D+03
      3   0.771951D+01 -0.396940D+00  0.647116D+01  0.220661D+01 -0.176692D+01
                51            52            53            54            55 
      1   0.220661D+01  0.113509D+01 -0.343054D+01  0.100709D+01  0.743022D-01
      2  -0.176692D+01 -0.343054D+01  0.437091D+02  0.842602D+01 -0.164271D+01
      3  -0.292868D+02  0.100709D+01  0.842602D+01 -0.705241D+01 -0.730113D+00
                56            57            58            59            60 
      1  -0.164271D+01 -0.730113D+00 -0.241585D+00 -0.270331D+00  0.239414D+00
      2   0.425874D+01  0.164777D+00 -0.270331D+00 -0.223697D+01  0.129491D+01
      3   0.164777D+00 -0.265068D+01  0.239414D+00  0.129491D+01 -0.269138D+01
                61            62            63            64            65 
      1   0.608357D+00  0.363677D-02 -0.535130D+00 -0.135067D+01  0.546291D+01
      2   0.363677D-02  0.534007D+01 -0.500156D+00  0.546291D+01 -0.654691D+01
      3  -0.535130D+00 -0.500156D+00  0.764043D+01  0.642074D+01  0.621237D-01
                66            67            68            69            70 
      1   0.642074D+01  0.140568D+01  0.115716D+01 -0.213997D+01  0.258354D+01
      2   0.621237D-01  0.115716D+01 -0.322039D+02  0.118502D+02 -0.463917D-01
      3   0.160039D+01 -0.213997D+01  0.118502D+02  0.328501D+02  0.141501D+01
                71            72            73            74            75 
      1  -0.463917D-01  0.141501D+01  0.405575D-02 -0.492695D-01 -0.368158D+00
      2   0.609553D+02 -0.133112D+01 -0.492695D-01  0.104196D+01 -0.642716D+00
      3  -0.133112D+01 -0.854049D+01 -0.368158D+00 -0.642716D+00 -0.128678D+01
                76            77            78            79            80 
      1   0.389536D+00 -0.312785D+00 -0.474764D+00  0.712877D+00 -0.669927D+00
      2  -0.312785D+00  0.119993D+02  0.484370D+01 -0.669927D+00  0.819693D+01
      3  -0.474764D+00  0.484370D+01  0.543834D+01 -0.111090D+01  0.784030D+01
                81            82            83            84            85 
      1  -0.111090D+01 -0.107812D+01  0.886712D+01  0.207532D+01  0.288144D+01
      2   0.784030D+01  0.886712D+01  0.345669D+01 -0.163007D+01 -0.150407D+01
      3   0.122501D+02  0.207532D+01 -0.163007D+01 -0.258284D+01 -0.165766D+01
                86            87            88            89            90 
      1  -0.150407D+01 -0.165766D+01 -0.119593D+01 -0.793251D+00 -0.223491D+01
      2   0.235271D+02  0.187612D+02 -0.793251D+00 -0.137933D+02  0.206712D+02
      3   0.187612D+02  0.205381D+02 -0.223491D+01  0.206712D+02  0.179827D+02
                91            92            93            94            95 
      1   0.975038D-01 -0.212735D+00 -0.429147D+00  0.723068D+00 -0.626520D+00
      2  -0.212735D+00 -0.332824D+01  0.382564D-01 -0.626520D+00  0.201976D+02
      3  -0.429147D+00  0.382564D-01  0.117228D+01  0.530766D-01  0.997104D-01
                96            97            98            99           100 
      1   0.530766D-01 -0.155236D+00  0.781116D-01 -0.145639D+00  0.516373D+00
      2   0.997104D-01  0.781116D-01 -0.346372D+01  0.156358D+01  0.918438D+00
      3  -0.557775D+00 -0.145639D+00  0.156358D+01  0.755772D+00 -0.186698D+01
               101           102           103           104           105 
      1   0.918438D+00 -0.186698D+01 -0.134214D+01  0.212575D+01  0.115259D+01
      2  -0.667470D+01  0.216521D+00  0.212575D+01 -0.401409D+02 -0.221069D+02
      3   0.216521D+00  0.821639D+01  0.115259D+01 -0.221069D+02 -0.172886D+00
               106           107           108           109           110 
      1  -0.621327D+00  0.407491D+01  0.997802D+00  0.444794D+00  0.234350D+01
      2   0.407491D+01  0.393764D+02 -0.189458D+02  0.234350D+01  0.117790D+02
      3   0.997802D+00 -0.189458D+02 -0.122348D+02 -0.358787D+01  0.134544D+01
               111           112           113           114           115 
      1  -0.358787D+01  0.155330D+01 -0.886353D+01 -0.479632D+01 -0.768746D+00
      2   0.134544D+01 -0.886353D+01  0.587181D+02  0.625358D+02 -0.195179D+01
      3  -0.977365D+00 -0.479632D+01  0.625358D+02  0.639304D+02  0.814936D+00
               116           117           118           119           120 
      1  -0.195179D+01  0.814936D+00  0.160922D-01 -0.110470D+01  0.326917D-01
      2  -0.472060D+02  0.264220D+01 -0.110470D+01  0.112175D+02 -0.101658D+01
      3   0.264220D+01 -0.480581D+01  0.326917D-01 -0.101658D+01 -0.800274D+01
               121           122           123           124           125 
      1   0.614454D+00  0.119095D+01 -0.675013D-01 -0.324868D+00 -0.639957D+00
      2   0.119095D+01  0.319820D+02 -0.620736D+01 -0.639957D+00  0.458078D+00
      3  -0.675013D-01 -0.620736D+01  0.581167D+01 -0.343819D-01  0.706304D+01
               126           127           128           129           130 
      1  -0.343819D-01 -0.803762D+01  0.329842D+01  0.523916D+01  0.199621D+01
      2   0.706304D+01  0.329842D+01 -0.120330D+02 -0.136290D+02  0.887950D+00
      3  -0.218592D+01  0.523916D+01 -0.136290D+02 -0.183834D+02 -0.236472D+01
               131           132           133           134           135 
      1   0.887950D+00 -0.236472D+01  0.151487D+01 -0.353039D+01 -0.422934D+01
      2   0.872274D+02  0.661045D+01 -0.353039D+01  0.363972D+02  0.816059D+01
      3   0.661045D+01  0.947182D+01 -0.422934D+01  0.816059D+01  0.268333D+02
               136           137           138           139           140 
      1   0.775731D+01 -0.245174D+01 -0.617492D+01 -0.785047D+00  0.117400D+01
      2  -0.245174D+01  0.575665D+01  0.657542D+01  0.117400D+01 -0.436091D+01
      3  -0.617492D+01  0.657542D+01  0.141551D+02  0.355544D+00 -0.839769D+00
               141           142           143           144           145 
      1   0.355544D+00 -0.372998D+00  0.705506D+00  0.164716D+01  0.599941D+01
      2  -0.839769D+00  0.705506D+00 -0.110527D+02 -0.200146D+01 -0.194072D+01
      3   0.196832D+01  0.164716D+01 -0.200146D+01 -0.596773D+01  0.956781D-02
               146           147           148           149           150 
      1  -0.194072D+01  0.956781D-02 -0.141551D+01 -0.292872D+01  0.325601D-01
      2   0.476275D+01  0.249994D+01 -0.292872D+01 -0.136554D+02 -0.760090D+00
      3   0.249994D+01 -0.299519D+01  0.325601D-01 -0.760090D+00  0.693858D+01
               151           152           153           154           155 
      1  -0.197245D+00  0.473051D-01 -0.918171D+00  0.642315D+00  0.175147D+01
      2   0.473051D-01 -0.928130D+01  0.286579D+01  0.175147D+01  0.221968D+01
      3  -0.918171D+00  0.286579D+01 -0.901592D+01 -0.567763D+00 -0.113719D+01
               156           157           158           159           160 
      1  -0.567763D+00  0.122335D+01  0.176137D+01 -0.369931D+00 -0.114522D+00
      2  -0.113719D+01  0.176137D+01  0.826011D+01 -0.257042D+01 -0.181407D+00
      3   0.232469D+01 -0.369931D+00 -0.257042D+01  0.222642D+01  0.772494D+00
               161           162           163           164           165 
      1  -0.181407D+00  0.772494D+00 -0.655401D+01  0.176941D+01 -0.148356D+01
      2   0.892958D+00  0.142608D+01  0.176941D+01 -0.166717D+01  0.675711D+00
      3   0.142608D+01  0.150191D+00 -0.148356D+01  0.675711D+00 -0.336390D+01
               166           167           168           169           170 
      1   0.855128D+00 -0.940550D+00  0.404983D+00 -0.792913D-02 -0.345413D-01
      2  -0.940550D+00  0.140556D+01 -0.484642D+00 -0.345413D-01  0.580216D+00
      3   0.404983D+00 -0.484642D+00 -0.930273D+00 -0.103697D+01  0.250469D+00
               171           172           173           174           175 
      1  -0.103697D+01 -0.692433D+01 -0.666498D+00  0.188328D+01  0.109286D+00
      2   0.250469D+00 -0.666498D+00 -0.281319D+01 -0.120178D+01  0.170210D+01
      3   0.317004D+00  0.188328D+01 -0.120178D+01  0.451933D+01 -0.606880D+00
               176           177           178           179           180 
      1   0.170210D+01 -0.606880D+00  0.723806D+00 -0.439100D+00  0.238937D+01
      2   0.547755D+01  0.153659D+01 -0.439100D+00 -0.838281D+00 -0.617189D+01
      3   0.153659D+01 -0.860149D+01  0.238937D+01 -0.617189D+01  0.284482D+01
               181           182           183           184           185 
      1   0.783536D+01  0.970238D+00 -0.305640D+01 -0.894639D-01  0.792396D+00
      2   0.970238D+00  0.179997D+01 -0.204516D+00  0.792396D+00  0.280800D-01
      3  -0.305640D+01 -0.204516D+00  0.339059D+01 -0.352297D-01 -0.681865D+00
               186           187           188           189           190 
      1  -0.352297D-01 -0.731564D+00 -0.832740D-01  0.126819D+01 -0.239930D+00
      2  -0.681865D+00 -0.832740D-01  0.203759D+00  0.882074D+00  0.863752D+00
      3   0.764227D+00  0.126819D+01  0.882074D+00 -0.104748D+01 -0.198789D+01
               191           192           193           194           195 
      1   0.863752D+00 -0.198789D+01  0.557495D+00 -0.724122D+00  0.424314D+00
      2  -0.699984D+00  0.115603D+01 -0.724122D+00  0.235906D+01 -0.373850D+01
      3   0.115603D+01 -0.409361D+01  0.424314D+00 -0.373850D+01  0.627470D+01
               196           197           198           199           200 
      1  -0.972829D+00  0.220718D+00 -0.138162D+01  0.692433D+01  0.666498D+00
      2   0.220718D+00 -0.499633D+01  0.436034D+01  0.666498D+00  0.281319D+01
      3  -0.138162D+01  0.436034D+01 -0.134049D+02  0.188328D+01 -0.120178D+01
               201           202           203           204           205 
      1   0.188328D+01 -0.109286D+00 -0.170210D+01 -0.606880D+00  0.723806D+00
      2  -0.120178D+01 -0.170210D+01 -0.547755D+01  0.153659D+01 -0.439100D+00
      3  -0.451933D+01 -0.606880D+00  0.153659D+01  0.860149D+01 -0.238937D+01
               206           207           208           209           210 
      1  -0.439100D+00 -0.238937D+01  0.239930D+00 -0.863752D+00 -0.198789D+01
      2  -0.838281D+00  0.617189D+01 -0.863752D+00  0.699984D+00  0.115603D+01
      3   0.617189D+01  0.284482D+01 -0.198789D+01  0.115603D+01  0.409361D+01
               211           212           213           214           215 
      1  -0.557495D+00  0.724122D+00  0.424314D+00 -0.972829D+00  0.220718D+00
      2   0.724122D+00 -0.235906D+01 -0.373850D+01  0.220718D+00 -0.499633D+01
      3   0.424314D+00 -0.373850D+01 -0.627470D+01  0.138162D+01 -0.436034D+01
               216           217           218           219           220 
      1   0.138162D+01 -0.783536D+01 -0.970238D+00 -0.305640D+01  0.894639D-01
      2  -0.436034D+01 -0.970238D+00 -0.179997D+01 -0.204516D+00 -0.792396D+00
      3  -0.134049D+02 -0.305640D+01 -0.204516D+00 -0.339059D+01 -0.352297D-01
               221           222           223           224           225 
      1  -0.792396D+00 -0.352297D-01 -0.731564D+00 -0.832740D-01 -0.126819D+01
      2  -0.280800D-01 -0.681865D+00 -0.832740D-01  0.203759D+00 -0.882074D+00
      3  -0.681865D+00 -0.764227D+00 -0.126819D+01 -0.882074D+00 -0.104748D+01
               226           227           228           229           230 
      1  -0.599941D+01  0.194072D+01  0.956781D-02  0.141551D+01  0.292872D+01
      2   0.194072D+01 -0.476275D+01  0.249994D+01  0.292872D+01  0.136554D+02
      3   0.956781D-02  0.249994D+01  0.299519D+01  0.325601D-01 -0.760090D+00
               231           232           233           234           235 
      1   0.325601D-01 -0.197245D+00  0.473051D-01  0.918171D+00  0.655401D+01
      2  -0.760090D+00  0.473051D-01 -0.928130D+01 -0.286579D+01 -0.176941D+01
      3  -0.693858D+01  0.918171D+00 -0.286579D+01 -0.901592D+01 -0.148356D+01
               236           237           238           239           240 
      1  -0.176941D+01 -0.148356D+01 -0.855128D+00  0.940550D+00  0.404983D+00
      2   0.166717D+01  0.675711D+00  0.940550D+00 -0.140556D+01 -0.484642D+00
      3   0.675711D+00  0.336390D+01  0.404983D+00 -0.484642D+00  0.930273D+00
               241           242           243           244           245 
      1  -0.792913D-02 -0.345413D-01  0.103697D+01 -0.642315D+00 -0.175147D+01
      2  -0.345413D-01  0.580216D+00 -0.250469D+00 -0.175147D+01 -0.221968D+01
      3   0.103697D+01 -0.250469D+00  0.317004D+00 -0.567763D+00 -0.113719D+01
               246           247           248           249           250 
      1  -0.567763D+00 -0.122335D+01 -0.176137D+01 -0.369931D+00 -0.114522D+00
      2  -0.113719D+01 -0.176137D+01 -0.826011D+01 -0.257042D+01 -0.181407D+00
      3  -0.232469D+01 -0.369931D+00 -0.257042D+01 -0.222642D+01 -0.772494D+00
               251           252           253           254           255 
      1  -0.181407D+00 -0.772494D+00  0.803762D+01 -0.329842D+01  0.523916D+01
      2   0.892958D+00 -0.142608D+01 -0.329842D+01  0.120330D+02 -0.136290D+02
      3  -0.142608D+01  0.150191D+00  0.523916D+01 -0.136290D+02  0.183834D+02
               256           257           258           259           260 
      1  -0.199621D+01 -0.887950D+00 -0.236472D+01  0.151487D+01 -0.353039D+01
      2  -0.887950D+00 -0.872274D+02  0.661045D+01 -0.353039D+01  0.363972D+02
      3  -0.236472D+01  0.661045D+01 -0.947182D+01  0.422934D+01 -0.816059D+01
               261           262           263           264           265 
      1   0.422934D+01 -0.775731D+01  0.245174D+01 -0.617492D+01  0.785047D+00
      2  -0.816059D+01  0.245174D+01 -0.575665D+01  0.657542D+01 -0.117400D+01
      3   0.268333D+02 -0.617492D+01  0.657542D+01 -0.141551D+02  0.355544D+00
               266           267           268           269           270 
      1  -0.117400D+01  0.355544D+00 -0.372998D+00  0.705506D+00 -0.164716D+01
      2   0.436091D+01 -0.839769D+00  0.705506D+00 -0.110527D+02  0.200146D+01
      3  -0.839769D+00 -0.196832D+01 -0.164716D+01  0.200146D+01 -0.596773D+01
               271           272           273           274           275 
      1  -0.444794D+00 -0.234350D+01 -0.358787D+01 -0.155330D+01  0.886353D+01
      2  -0.234350D+01 -0.117790D+02  0.134544D+01  0.886353D+01 -0.587181D+02
      3  -0.358787D+01  0.134544D+01  0.977365D+00 -0.479632D+01  0.625358D+02
               276           277           278           279           280 
      1  -0.479632D+01 -0.768746D+00 -0.195179D+01 -0.814936D+00 -0.160922D-01
      2   0.625358D+02 -0.195179D+01 -0.472060D+02 -0.264220D+01  0.110470D+01
      3  -0.639304D+02 -0.814936D+00 -0.264220D+01 -0.480581D+01  0.326917D-01
               281           282           283           284           285 
      1   0.110470D+01  0.326917D-01 -0.614454D+00 -0.119095D+01 -0.675013D-01
      2  -0.112175D+02 -0.101658D+01 -0.119095D+01 -0.319820D+02 -0.620736D+01
      3  -0.101658D+01  0.800274D+01 -0.675013D-01 -0.620736D+01 -0.581167D+01
               286           287           288           289           290 
      1  -0.324868D+00 -0.639957D+00  0.343819D-01 -0.516373D+00 -0.918438D+00
      2  -0.639957D+00  0.458078D+00 -0.706304D+01 -0.918438D+00  0.667470D+01
      3   0.343819D-01 -0.706304D+01 -0.218592D+01 -0.186698D+01  0.216521D+00
               291           292           293           294           295 
      1  -0.186698D+01  0.134214D+01 -0.212575D+01  0.115259D+01 -0.621327D+00
      2   0.216521D+00 -0.212575D+01  0.401409D+02 -0.221069D+02  0.407491D+01
      3  -0.821639D+01  0.115259D+01 -0.221069D+02  0.172886D+00 -0.997802D+00
               296           297           298           299           300 
      1   0.407491D+01 -0.997802D+00  0.107812D+01 -0.886712D+01  0.207532D+01
      2   0.393764D+02  0.189458D+02 -0.886712D+01 -0.345669D+01 -0.163007D+01
      3   0.189458D+02 -0.122348D+02  0.207532D+01 -0.163007D+01  0.258284D+01
               301           302           303           304           305 
      1  -0.288144D+01  0.150407D+01 -0.165766D+01 -0.119593D+01 -0.793251D+00
      2   0.150407D+01 -0.235271D+02  0.187612D+02 -0.793251D+00 -0.137933D+02
      3  -0.165766D+01  0.187612D+02 -0.205381D+02  0.223491D+01 -0.206712D+02
               306           307           308           309           310 
      1   0.223491D+01 -0.975038D-01  0.212735D+00 -0.429147D+00 -0.723068D+00
      2  -0.206712D+02  0.212735D+00  0.332824D+01  0.382564D-01  0.626520D+00
      3   0.179827D+02 -0.429147D+00  0.382564D-01 -0.117228D+01  0.530766D-01
               311           312           313           314           315 
      1   0.626520D+00  0.530766D-01 -0.155236D+00  0.781116D-01  0.145639D+00
      2  -0.201976D+02  0.997104D-01  0.781116D-01 -0.346372D+01 -0.156358D+01
      3   0.997104D-01  0.557775D+00  0.145639D+00 -0.156358D+01  0.755772D+00
               316           317           318           319           320 
      1   0.135067D+01 -0.546291D+01  0.642074D+01 -0.140568D+01 -0.115716D+01
      2  -0.546291D+01  0.654691D+01  0.621236D-01 -0.115716D+01  0.322039D+02
      3   0.642074D+01  0.621236D-01 -0.160039D+01 -0.213997D+01  0.118502D+02
               321           322           323           324           325 
      1  -0.213997D+01  0.258354D+01 -0.463917D-01 -0.141501D+01 -0.405575D-02
      2   0.118502D+02 -0.463917D-01  0.609553D+02  0.133112D+01  0.492695D-01
      3  -0.328501D+02 -0.141501D+01  0.133112D+01 -0.854049D+01 -0.368158D+00
               326           327           328           329           330 
      1   0.492695D-01 -0.368158D+00 -0.389536D+00  0.312785D+00 -0.474764D+00
      2  -0.104196D+01 -0.642716D+00  0.312785D+00 -0.119993D+02  0.484370D+01
      3  -0.642716D+00  0.128678D+01 -0.474764D+00  0.484370D+01 -0.543834D+01
               331           332           333           334           335 
      1   0.712877D+00 -0.669927D+00  0.111090D+01  0.110121D+01 -0.382806D+01
      2  -0.669927D+00  0.819693D+01 -0.784030D+01 -0.382806D+01  0.232041D+02
      3   0.111090D+01 -0.784030D+01  0.122501D+02  0.771951D+01 -0.396940D+00
               336           337           338           339           340 
      1   0.771951D+01  0.243628D+01  0.414089D+00  0.220661D+01  0.113509D+01
      2  -0.396940D+00  0.414089D+00 -0.111459D+03 -0.176692D+01 -0.343054D+01
      3  -0.647116D+01  0.220661D+01 -0.176692D+01  0.292868D+02 -0.100709D+01
               341           342           343           344           345 
      1  -0.343054D+01 -0.100709D+01 -0.743022D-01  0.164271D+01 -0.730113D+00
      2   0.437091D+02 -0.842602D+01  0.164271D+01 -0.425874D+01  0.164777D+00
      3  -0.842602D+01 -0.705241D+01 -0.730113D+00  0.164777D+00  0.265068D+01
               346           347           348           349           350 
      1   0.241585D+00  0.270331D+00  0.239414D+00  0.608357D+00  0.363676D-02
      2   0.270331D+00  0.223697D+01  0.129491D+01  0.363676D-02  0.534007D+01
      3   0.239414D+00  0.129491D+01  0.269138D+01  0.535130D+00  0.500156D+00
               351 
      1   0.535130D+00
      2   0.500156D+00
      3   0.764043D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.183500D-05 -0.286889D+02  0.000000D+00 -0.971811D-05
      2   0.000000D+00  0.000000D+00 -0.146586D+03  0.000000D+00 -0.256565D-05
      3  -0.256652D+01 -0.155378D+04  0.000000D+00 -0.431295D+02 -0.543768D+02
                 6             7             8             9            10 
      1   0.267092D+02 -0.160419D+03 -0.544656D+04  0.124709D-05  0.987738D+02
      2  -0.921955D+02 -0.443920D+02 -0.259425D+04  0.163814D-05  0.492561D+02
      3   0.000000D+00  0.000000D+00  0.815459D-05 -0.364691D+04 -0.200900D+01
                11            12            13            14            15 
      1   0.322320D+03  0.993526D+02 -0.101197D+03 -0.472698D+04  0.271228D+03
      2  -0.721480D+02 -0.175289D+01 -0.203255D+02 -0.214103D+04  0.138382D+03
      3   0.521400D+03  0.140595D+04 -0.174873D+02  0.529041D+03 -0.238484D+04
                16            17            18            19            20 
      1  -0.642179D+02 -0.334686D+04 -0.164206D+03 -0.130723D+03 -0.441668D+03
      2  -0.212985D+02 -0.120125D+04  0.961382D+02 -0.686528D+02  0.124532D+03
      3   0.118795D+02  0.680909D+03 -0.320641D+04  0.331749D+02 -0.592208D+03
                21            22            23            24            25 
      1  -0.730984D+02 -0.184094D+03 -0.433052D+04  0.572295D+03  0.115310D+03
      2   0.517119D+02 -0.489761D+02 -0.223795D+04 -0.142549D+03  0.219617D+02
      3  -0.228917D+04  0.167455D+02 -0.141986D+04 -0.306338D+04  0.493478D+01
                26            27            28            29            30 
      1   0.656288D+04  0.276142D+02  0.130723D+03  0.441668D+03 -0.730984D+02
      2   0.291787D+04 -0.343761D+02  0.686528D+02 -0.124532D+03  0.517119D+02
      3  -0.224008D+03  0.409886D+04  0.331749D+02 -0.592208D+03  0.228917D+04
                31            32            33            34            35 
      1   0.184094D+03  0.433052D+04  0.572295D+03  0.115310D+03  0.656288D+04
      2   0.489761D+02  0.223795D+04 -0.142549D+03  0.219617D+02  0.291787D+04
      3   0.167455D+02 -0.141986D+04  0.306338D+04 -0.493478D+01  0.224008D+03
                36            37            38            39            40 
      1  -0.276142D+02 -0.987738D+02 -0.322320D+03  0.993526D+02  0.101197D+03
      2   0.343761D+02 -0.492561D+02  0.721480D+02 -0.175289D+01  0.203255D+02
      3   0.409886D+04 -0.200900D+01  0.521400D+03 -0.140595D+04 -0.174873D+02
                41            42            43            44            45 
      1   0.472698D+04  0.271228D+03 -0.642179D+02 -0.334686D+04  0.164206D+03
      2   0.214103D+04  0.138382D+03 -0.212985D+02 -0.120125D+04 -0.961382D+02
      3   0.529041D+03  0.238484D+04 -0.118795D+02 -0.680909D+03 -0.320641D+04
                46            47            48            49            50 
      1  -0.723740D+02  0.187824D+03 -0.689962D+02 -0.350481D+02 -0.958787D+03
      2  -0.176433D+02  0.234298D+03  0.129620D+02  0.129682D+02 -0.608935D+03
      3  -0.822538D+01  0.100487D+02 -0.201467D+03  0.365086D+02 -0.699277D+03
                51            52            53            54            55 
      1   0.269159D+03  0.547762D+01  0.195516D+03  0.124141D+02  0.211494D+02
      2  -0.962807D+02  0.729943D+01 -0.754115D+02 -0.179296D+03  0.674966D+01
      3  -0.424418D+03  0.153917D+02 -0.978492D+03  0.578277D+03 -0.588802D+01
                56            57            58            59            60 
      1  -0.557211D+02  0.112924D+02  0.390762D+00  0.165504D+02  0.223353D+02
      2  -0.562687D+02  0.407858D+00  0.276287D+01  0.110421D+02 -0.184758D+01
      3   0.229300D+01  0.124336D+03 -0.249188D+01 -0.199889D+02  0.365179D+02
                61            62            63            64            65 
      1   0.284732D+01 -0.485527D+02 -0.348260D+02 -0.353407D+02  0.878348D+02
      2  -0.396510D+01 -0.285394D+02 -0.127263D+01 -0.388448D+01  0.592222D+02
      3   0.673540D+01  0.889103D-01 -0.215702D+02  0.113731D+02 -0.196523D+02
                66            67            68            69            70 
      1  -0.149726D+02  0.125014D+02 -0.149788D+03 -0.215877D+03 -0.153687D+02
      2  -0.965283D+01 -0.931153D+01  0.119690D+03  0.155460D+03 -0.936066D+01
      3  -0.809923D+02 -0.425949D+02  0.103295D+04 -0.219748D+03  0.114103D+02
                71            72            73            74            75 
      1  -0.391112D+03  0.574206D+02  0.272956D+01 -0.147523D+02  0.126508D+02
      2  -0.325556D+03 -0.826840D+02  0.929185D+00 -0.209204D+02  0.173862D+01
      3  -0.525295D+03 -0.105483D+03 -0.637956D+00 -0.192235D+02  0.108741D+02
                76            77            78            79            80 
      1  -0.225455D+01 -0.108989D+03 -0.169707D+01  0.226974D+01 -0.452028D+02
      2  -0.310868D+01 -0.482578D+02  0.210082D+01 -0.420132D+01 -0.156637D+02
      3   0.193961D+01  0.523161D+01 -0.112903D+03  0.154309D+02 -0.130688D+02
                81            82            83            84            85 
      1  -0.309916D+02  0.702484D+01 -0.393305D+02  0.226310D+02  0.108193D+02
      2  -0.340125D+01 -0.254803D+01 -0.426618D+02  0.127118D+02 -0.508511D+01
      3  -0.251907D+02 -0.103036D+02  0.694986D+02  0.575774D+02  0.107378D+01
                86            87            88            89            90 
      1  -0.110295D+03 -0.126171D+03  0.125941D+02 -0.223012D+02 -0.449238D+02
      2   0.153085D+02  0.509936D+02  0.498535D+01  0.160410D+03  0.174483D+03
      3   0.398913D+03 -0.140484D+03 -0.360295D+02  0.108207D+04  0.128444D+03
                91            92            93            94            95 
      1  -0.370616D+01  0.333404D+02 -0.150772D+01 -0.376129D+01 -0.237515D+02
      2  -0.187504D+01  0.341916D+02  0.283868D+00 -0.595072D+00 -0.274747D+02
      3   0.635425D+01 -0.597853D+02 -0.837997D+02  0.759669D+01 -0.817271D+01
                96            97            98            99           100 
      1   0.980572D+01  0.136721D+00 -0.135427D+02 -0.941109D+00 -0.379671D+01
      2   0.208396D+01 -0.106981D+01 -0.277877D+01  0.230072D+01 -0.129515D+02
      3  -0.468583D+02 -0.102695D+01  0.107355D+02 -0.149316D+02  0.278716D+02
               101           102           103           104           105 
      1   0.441429D+02 -0.588779D+00  0.665397D+01  0.294704D+03 -0.178799D+03
      2   0.124175D+03  0.903779D+02  0.538756D+00  0.109597D+03 -0.130576D+03
      3   0.378224D+03 -0.319074D+03  0.373599D+02 -0.762129D+03 -0.319968D+03
               106           107           108           109           110 
      1  -0.288115D+02 -0.932487D+03  0.146853D+03  0.137776D+02 -0.135165D+03
      2  -0.125174D+02 -0.549982D+03 -0.728279D+02  0.172967D+01 -0.105135D+03
      3  -0.737218D+01 -0.516623D+03 -0.265597D+03 -0.107414D+02 -0.591678D+02
               111           112           113           114           115 
      1  -0.117507D+02  0.817995D+02 -0.108942D+02 -0.680939D+03  0.114284D+02
      2   0.177396D+02  0.219979D+02  0.217250D+03  0.615281D+02  0.120096D+02
      3   0.129080D+03 -0.108392D+02  0.915720D+03  0.257819D+03 -0.263186D+02
               116           117           118           119           120 
      1   0.938468D+03  0.767817D+02  0.227681D+02 -0.778920D+02  0.162773D+02
      2   0.554463D+03  0.192351D+03  0.150160D+02 -0.142136D+03 -0.338683D+02
      3   0.896522D+03  0.438161D+03 -0.210180D+02  0.620847D+02  0.435884D+03
               121           122           123           124           125 
      1  -0.110659D+02 -0.371393D+03  0.216786D+01  0.451624D+01 -0.619358D+02
      2   0.710395D+00 -0.189213D+03  0.804346D+01  0.163782D+01 -0.261665D+02
      3   0.413065D+01 -0.232493D+01 -0.399742D+03 -0.906043D+01  0.595796D+01
               126           127           128           129           130 
      1  -0.274860D+02 -0.228656D+02  0.320421D+03  0.978491D+02 -0.171951D+02
      2  -0.114729D+02 -0.136816D+02  0.796889D+02  0.286463D+02 -0.240670D+01
      3   0.517809D+01 -0.225587D+02  0.379691D+03  0.546663D+03  0.177960D+02
               131           132           133           134           135 
      1  -0.129491D+04 -0.541177D+02  0.310735D+02 -0.368824D+03 -0.104430D+03
      2  -0.598590D+03 -0.119102D+02  0.559352D+01 -0.225965D+03 -0.728491D+01
      3  -0.897326D+01 -0.848334D+03  0.125229D+02  0.217416D+03 -0.658224D+02
               136           137           138           139           140 
      1   0.237990D+02 -0.902432D+02 -0.637473D+02 -0.478702D+01  0.414921D+02
      2   0.161152D+02 -0.328938D+02 -0.230168D+01 -0.163375D+01  0.170650D+02
      3   0.385300D+01  0.373494D+02 -0.422662D+02 -0.142733D+00 -0.167707D+01
               141           142           143           144           145 
      1  -0.680209D+01 -0.692080D+01  0.115632D+03  0.365389D+02  0.675485D+01
      2   0.261926D+01 -0.311476D+01  0.425702D+02  0.672468D+01  0.207024D+02
      3  -0.937684D+02  0.514020D+01  0.588592D+02 -0.519853D+02  0.139423D+02
               146           147           148           149           150 
      1  -0.130031D+03 -0.159832D+02  0.211417D+02  0.227587D+03 -0.868308D+01
      2  -0.790982D+02  0.530295D+01 -0.321631D+01  0.813828D+02  0.944022D+01
      3  -0.154885D+02 -0.191835D+02 -0.399242D+01  0.844350D+02  0.246746D+03
               151           152           153           154           155 
      1   0.368376D+01  0.162404D+03 -0.671993D+01 -0.631549D+01 -0.813494D+01
      2  -0.197762D+01  0.571344D+02 -0.709943D+01  0.177785D+01  0.585566D+01
      3   0.221562D+01  0.631728D+02  0.247229D+03  0.208581D+00  0.114184D+02
               156           157           158           159           160 
      1   0.126064D+01 -0.733773D+01 -0.458334D+02  0.372622D+01 -0.918272D+00
      2   0.537483D+00  0.432786D+01 -0.488170D+01  0.200363D+01 -0.846874D+00
      3  -0.112780D+02  0.497481D+01  0.406572D+01 -0.169539D+02 -0.326807D+00
               161           162           163           164           165 
      1  -0.205207D+02 -0.981972D+01 -0.383178D+01  0.121897D+02  0.546697D+01
      2  -0.789488D+01  0.875645D+00 -0.224240D+02  0.916067D+01 -0.152169D+01
      3  -0.764988D+01 -0.257035D+02 -0.129875D+02 -0.424922D+00  0.767297D+01
               166           167           168           169           170 
      1   0.276468D+01 -0.330012D+01  0.167841D+01  0.247110D+01 -0.117007D+02
      2   0.267280D+01 -0.681455D+00  0.499961D+00 -0.474399D+00 -0.760181D+01
      3   0.258120D+01 -0.625653D+01 -0.116129D+01  0.745647D-01 -0.100666D+02
               171           172           173           174           175 
      1  -0.455351D+01  0.339683D+01  0.672436D+02  0.133367D+01 -0.104884D+02
      2  -0.452036D+01 -0.323889D+02  0.285081D+02  0.161064D+02  0.620101D+00
      3   0.118034D+02 -0.500478D+01 -0.374121D+01  0.727392D+02  0.179924D+01
               176           177           178           179           180 
      1  -0.868964D+02 -0.239061D+01  0.122781D+01  0.482261D+02  0.347861D+02
      2  -0.240467D+02 -0.935885D+01  0.297003D+01  0.130559D+02  0.107907D+02
      3  -0.290191D+02 -0.891301D+02  0.161495D+01  0.419854D+01  0.687826D+02
               181           182           183           184           185 
      1  -0.314563D+01 -0.153620D+02 -0.179783D+01 -0.386391D+01 -0.291023D-01
      2   0.366223D+02  0.272069D+01 -0.947664D+01 -0.450281D+00  0.209845D+01
      3   0.716523D+01 -0.762367D+01 -0.144789D+02  0.421745D+00  0.490640D+01
               186           187           188           189           190 
      1   0.136093D+01 -0.585459D+00 -0.395048D+01 -0.483105D+01 -0.316082D+01
      2   0.305461D+00 -0.376420D+01 -0.149457D+01  0.768978D+01 -0.211376D+01
      3   0.924918D+00 -0.599810D+00  0.567556D+01 -0.766258D+01 -0.360255D+00
               191           192           193           194           195 
      1  -0.389897D+01 -0.132735D+01  0.380639D+01 -0.333921D+01  0.119402D+02
      2   0.132039D+01 -0.102348D+02  0.375322D+01 -0.162970D+01  0.516072D+01
      3  -0.758938D+01 -0.205595D+02  0.209480D+01  0.668023D+01  0.170977D+02
               196           197           198           199           200 
      1   0.107060D+01  0.569317D+02 -0.109686D+02 -0.339683D+01 -0.672436D+02
      2  -0.758019D+01  0.228499D+02 -0.104787D+02  0.323889D+02 -0.285081D+02
      3  -0.220244D+01  0.105631D+02  0.370853D+02 -0.500478D+01 -0.374121D+01
               201           202           203           204           205 
      1   0.133367D+01  0.104884D+02  0.868964D+02 -0.239061D+01  0.122781D+01
      2   0.161064D+02 -0.620102D+00  0.240467D+02 -0.935885D+01  0.297003D+01
      3  -0.727392D+02  0.179924D+01 -0.290191D+02  0.891301D+02 -0.161495D+01
               206           207           208           209           210 
      1   0.482261D+02 -0.347861D+02  0.316082D+01  0.389897D+01 -0.132735D+01
      2   0.130559D+02 -0.107907D+02  0.211376D+01 -0.132040D+01 -0.102348D+02
      3  -0.419854D+01  0.687826D+02 -0.360255D+00 -0.758938D+01  0.205595D+02
               211           212           213           214           215 
      1  -0.380639D+01  0.333921D+01  0.119402D+02  0.107060D+01  0.569317D+02
      2  -0.375322D+01  0.162970D+01  0.516072D+01 -0.758019D+01  0.228499D+02
      3   0.209480D+01  0.668023D+01 -0.170977D+02  0.220244D+01 -0.105631D+02
               216           217           218           219           220 
      1   0.109686D+02  0.314563D+01  0.153620D+02 -0.179783D+01  0.386391D+01
      2   0.104787D+02 -0.366223D+02 -0.272069D+01 -0.947664D+01  0.450281D+00
      3   0.370853D+02  0.716523D+01 -0.762367D+01  0.144789D+02  0.421745D+00
               221           222           223           224           225 
      1   0.291023D-01  0.136093D+01 -0.585459D+00 -0.395048D+01  0.483105D+01
      2  -0.209845D+01  0.305461D+00 -0.376420D+01 -0.149457D+01 -0.768978D+01
      3   0.490640D+01 -0.924918D+00  0.599810D+00 -0.567556D+01 -0.766258D+01
               226           227           228           229           230 
      1  -0.675485D+01  0.130031D+03 -0.159832D+02 -0.211417D+02 -0.227587D+03
      2  -0.207024D+02  0.790982D+02  0.530295D+01  0.321631D+01 -0.813828D+02
      3   0.139423D+02 -0.154885D+02  0.191835D+02 -0.399242D+01  0.844350D+02
               231           232           233           234           235 
      1  -0.868308D+01  0.368376D+01  0.162404D+03  0.671993D+01  0.383178D+01
      2   0.944022D+01 -0.197762D+01  0.571344D+02  0.709943D+01  0.224240D+02
      3  -0.246746D+03 -0.221562D+01 -0.631728D+02  0.247229D+03 -0.129875D+02
               236           237           238           239           240 
      1  -0.121897D+02  0.546697D+01 -0.276468D+01  0.330012D+01  0.167841D+01
      2  -0.916067D+01 -0.152169D+01 -0.267280D+01  0.681455D+00  0.499961D+00
      3  -0.424922D+00 -0.767297D+01  0.258120D+01 -0.625653D+01  0.116129D+01
               241           242           243           244           245 
      1   0.247110D+01 -0.117007D+02  0.455351D+01  0.631549D+01  0.813494D+01
      2  -0.474399D+00 -0.760181D+01  0.452036D+01 -0.177785D+01 -0.585566D+01
      3  -0.745646D-01  0.100666D+02  0.118034D+02  0.208581D+00  0.114184D+02
               246           247           248           249           250 
      1   0.126064D+01  0.733773D+01  0.458334D+02  0.372622D+01 -0.918272D+00
      2   0.537483D+00 -0.432786D+01  0.488170D+01  0.200363D+01 -0.846874D+00
      3   0.112780D+02  0.497481D+01  0.406572D+01  0.169539D+02  0.326807D+00
               251           252           253           254           255 
      1  -0.205207D+02  0.981972D+01  0.228656D+02 -0.320421D+03  0.978491D+02
      2  -0.789488D+01 -0.875645D+00  0.136816D+02 -0.796889D+02  0.286463D+02
      3   0.764988D+01 -0.257035D+02 -0.225587D+02  0.379691D+03 -0.546663D+03
               256           257           258           259           260 
      1   0.171951D+02  0.129491D+04 -0.541177D+02  0.310735D+02 -0.368825D+03
      2   0.240670D+01  0.598590D+03 -0.119102D+02  0.559352D+01 -0.225965D+03
      3   0.177960D+02 -0.897326D+01  0.848334D+03 -0.125229D+02 -0.217416D+03
               261           262           263           264           265 
      1   0.104430D+03 -0.237990D+02  0.902432D+02 -0.637473D+02  0.478702D+01
      2   0.728491D+01 -0.161152D+02  0.328938D+02 -0.230168D+01  0.163375D+01
      3  -0.658224D+02  0.385300D+01  0.373494D+02  0.422662D+02 -0.142733D+00
               266           267           268           269           270 
      1  -0.414921D+02 -0.680209D+01 -0.692080D+01  0.115632D+03 -0.365389D+02
      2  -0.170650D+02  0.261926D+01 -0.311476D+01  0.425702D+02 -0.672468D+01
      3  -0.167707D+01  0.937684D+02 -0.514020D+01 -0.588592D+02 -0.519853D+02
               271           272           273           274           275 
      1  -0.137776D+02  0.135165D+03 -0.117507D+02 -0.817995D+02  0.108942D+02
      2  -0.172967D+01  0.105135D+03  0.177396D+02 -0.219979D+02 -0.217250D+03
      3  -0.107414D+02 -0.591678D+02 -0.129080D+03 -0.108392D+02  0.915720D+03
               276           277           278           279           280 
      1  -0.680939D+03  0.114284D+02  0.938468D+03 -0.767817D+02 -0.227681D+02
      2   0.615281D+02  0.120096D+02  0.554463D+03 -0.192351D+03 -0.150160D+02
      3  -0.257819D+03  0.263186D+02 -0.896522D+03  0.438161D+03 -0.210180D+02
               281           282           283           284           285 
      1   0.778920D+02  0.162773D+02  0.110659D+02  0.371393D+03  0.216786D+01
      2   0.142136D+03 -0.338683D+02 -0.710395D+00  0.189213D+03  0.804346D+01
      3   0.620847D+02 -0.435884D+03  0.413065D+01 -0.232493D+01  0.399742D+03
               286           287           288           289           290 
      1   0.451624D+01 -0.619358D+02  0.274860D+02  0.379671D+01 -0.441429D+02
      2   0.163782D+01 -0.261665D+02  0.114729D+02  0.129515D+02 -0.124175D+03
      3   0.906043D+01 -0.595796D+01  0.517809D+01  0.278716D+02  0.378224D+03
               291           292           293           294           295 
      1  -0.588777D+00 -0.665397D+01 -0.294704D+03 -0.178799D+03 -0.288115D+02
      2   0.903779D+02 -0.538756D+00 -0.109597D+03 -0.130576D+03 -0.125174D+02
      3   0.319074D+03  0.373599D+02 -0.762129D+03  0.319968D+03  0.737218D+01
               296           297           298           299           300 
      1  -0.932487D+03 -0.146853D+03 -0.702485D+01  0.393305D+02  0.226310D+02
      2  -0.549982D+03  0.728279D+02  0.254803D+01  0.426618D+02  0.127118D+02
      3   0.516623D+03 -0.265597D+03 -0.103036D+02  0.694986D+02 -0.575774D+02
               301           302           303           304           305 
      1  -0.108193D+02  0.110295D+03 -0.126171D+03  0.125941D+02 -0.223012D+02
      2   0.508511D+01 -0.153085D+02  0.509936D+02  0.498535D+01  0.160410D+03
      3   0.107378D+01  0.398913D+03  0.140484D+03  0.360295D+02 -0.108207D+04
               306           307           308           309           310 
      1   0.449238D+02  0.370616D+01 -0.333404D+02 -0.150772D+01  0.376129D+01
      2  -0.174483D+03  0.187504D+01 -0.341916D+02  0.283868D+00  0.595072D+00
      3   0.128444D+03  0.635425D+01 -0.597853D+02  0.837997D+02  0.759669D+01
               311           312           313           314           315 
      1   0.237515D+02  0.980572D+01  0.136721D+00 -0.135427D+02  0.941109D+00
      2   0.274747D+02  0.208396D+01 -0.106981D+01 -0.277877D+01 -0.230072D+01
      3  -0.817271D+01  0.468583D+02  0.102695D+01 -0.107355D+02 -0.149316D+02
               316           317           318           319           320 
      1   0.353407D+02 -0.878348D+02 -0.149726D+02 -0.125014D+02  0.149788D+03
      2   0.388448D+01 -0.592222D+02 -0.965283D+01  0.931153D+01 -0.119690D+03
      3   0.113731D+02 -0.196523D+02  0.809923D+02 -0.425949D+02  0.103295D+04
               321           322           323           324           325 
      1  -0.215877D+03 -0.153687D+02 -0.391112D+03 -0.574206D+02 -0.272956D+01
      2   0.155460D+03 -0.936066D+01 -0.325556D+03  0.826840D+02 -0.929185D+00
      3   0.219748D+03 -0.114103D+02  0.525295D+03 -0.105483D+03 -0.637956D+00
               326           327           328           329           330 
      1   0.147523D+02  0.126508D+02  0.225455D+01  0.108989D+03 -0.169707D+01
      2   0.209204D+02  0.173862D+01  0.310868D+01  0.482578D+02  0.210082D+01
      3  -0.192235D+02 -0.108741D+02  0.193961D+01  0.523161D+01  0.112903D+03
               331           332           333           334           335 
      1   0.226974D+01 -0.452028D+02  0.309916D+02  0.723740D+02 -0.187824D+03
      2  -0.420132D+01 -0.156637D+02  0.340125D+01  0.176433D+02 -0.234298D+03
      3  -0.154309D+02  0.130688D+02 -0.251907D+02 -0.822538D+01  0.100487D+02
               336           337           338           339           340 
      1  -0.689962D+02  0.350481D+02  0.958787D+03  0.269159D+03  0.547762D+01
      2   0.129620D+02 -0.129682D+02  0.608935D+03 -0.962807D+02  0.729943D+01
      3   0.201467D+03  0.365086D+02 -0.699277D+03  0.424418D+03 -0.153917D+02
               341           342           343           344           345 
      1   0.195516D+03 -0.124141D+02 -0.211494D+02  0.557211D+02  0.112924D+02
      2  -0.754115D+02  0.179296D+03 -0.674966D+01  0.562687D+02  0.407858D+00
      3   0.978492D+03  0.578277D+03 -0.588802D+01  0.229300D+01 -0.124336D+03
               346           347           348           349           350 
      1  -0.390762D+00 -0.165504D+02  0.223353D+02  0.284732D+01 -0.485527D+02
      2  -0.276287D+01 -0.110421D+02 -0.184758D+01 -0.396510D+01 -0.285394D+02
      3  -0.249188D+01 -0.199889D+02 -0.365179D+02 -0.673540D+01 -0.889104D-01
               351 
      1   0.348260D+02
      2   0.127263D+01
      3  -0.215702D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.566606D+02 -0.900979D+01  0.000000D+00  0.445680D+00 -0.399536D+02
      2  -0.394077D+02  0.436934D+01  0.000000D+00 -0.193121D+01  0.181407D+02
      3  -0.172529D+02  0.464045D+01  0.000000D+00  0.148553D+01  0.218129D+02
      4   0.268722D+01  0.264442D+02  0.000000D+00 -0.165932D+01  0.330075D+01
      5   0.000000D+00  0.000000D+00 -0.777384D+01  0.000000D+00  0.000000D+00
      6   0.000000D+00  0.000000D+00  0.419710D+01  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00 -0.275853D+02  0.184151D+00
      2   0.000000D+00  0.000000D+00  0.000000D+00  0.108953D+02 -0.316808D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00  0.166900D+02  0.298393D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.674526D+02  0.154962D+00
      5   0.107235D+01  0.394454D+01 -0.618180D+02  0.000000D+00  0.307851D+01
      6  -0.380976D+02  0.224614D+02  0.324256D+03  0.000000D+00 -0.176656D+02
                11            12            13            14            15 
      1  -0.266047D+01  0.308814D+02 -0.325341D+01  0.442285D+02 -0.268615D+02
      2   0.160313D+02  0.307333D+01  0.150694D+01 -0.126928D+02  0.136145D+02
      3  -0.133709D+02 -0.339548D+02  0.174647D+01 -0.315356D+02  0.132469D+02
      4  -0.159158D+02 -0.227040D+02  0.798577D+01 -0.629898D+01  0.459977D+02
      5  -0.216027D+02 -0.777253D+00  0.288468D+01 -0.659530D+02  0.213808D+01
      6   0.418373D+02 -0.787175D+01  0.154309D+02  0.459631D+03 -0.438656D+02
                16            17            18            19            20 
      1   0.949017D+00  0.972104D+02 -0.651623D+02  0.325789D+01 -0.580190D+01
      2   0.560118D+01 -0.119714D+03 -0.316016D+02 -0.497026D+01 -0.231900D+01
      3  -0.655019D+01  0.225036D+02  0.967639D+02  0.171237D+01  0.812090D+01
      4   0.193796D+01 -0.110754D+01  0.519048D+02  0.178869D+01  0.379449D+01
      5  -0.775407D+01 -0.238917D+02 -0.862521D+00 -0.184409D+01  0.263886D+02
      6   0.156549D+02  0.946516D+02  0.459533D+02  0.318049D+01 -0.454170D+02
                21            22            23            24            25 
      1  -0.500741D+02 -0.908008D+01  0.617998D+02  0.456819D+02 -0.599375D+01
      2   0.944821D+01  0.124200D+02 -0.814402D+02 -0.793818D+02  0.108322D+02
      3   0.406259D+02 -0.333992D+01  0.196404D+02  0.336999D+02 -0.483844D+01
      4   0.295476D+02  0.428574D+01  0.432014D+02  0.698745D+02  0.160600D+01
      5   0.115251D+02  0.137528D+02 -0.421800D+02  0.107820D+02  0.155818D+02
      6   0.593930D+01  0.537152D+02 -0.352823D+02 -0.348725D+03 -0.208003D+01
                26            27            28            29            30 
      1   0.176721D+02  0.893009D+02  0.325789D+01 -0.580190D+01  0.500741D+02
      2  -0.374487D+02 -0.838695D+02 -0.497026D+01 -0.231900D+01 -0.944821D+01
      3   0.197766D+02 -0.543141D+01  0.171237D+01  0.812090D+01 -0.406259D+02
      4   0.495941D+01 -0.661144D+02  0.178869D+01  0.379449D+01 -0.295476D+02
      5   0.758137D+02 -0.121115D+02  0.184409D+01 -0.263886D+02  0.115251D+02
      6  -0.602215D+03 -0.734539D+02 -0.318049D+01  0.454170D+02  0.593930D+01
                31            32            33            34            35 
      1  -0.908008D+01  0.617998D+02 -0.456819D+02  0.599375D+01 -0.176721D+02
      2   0.124200D+02 -0.814402D+02  0.793818D+02 -0.108322D+02  0.374487D+02
      3  -0.333992D+01  0.196404D+02 -0.336999D+02  0.483844D+01 -0.197766D+02
      4   0.428574D+01  0.432014D+02 -0.698745D+02 -0.160600D+01 -0.495941D+01
      5  -0.137528D+02  0.421800D+02  0.107820D+02  0.155818D+02  0.758137D+02
      6  -0.537152D+02  0.352823D+02 -0.348725D+03 -0.208003D+01 -0.602215D+03
                36            37            38            39            40 
      1   0.893009D+02  0.184151D+00 -0.266047D+01 -0.308814D+02 -0.325341D+01
      2  -0.838695D+02 -0.316808D+01  0.160313D+02 -0.307333D+01  0.150694D+01
      3  -0.543140D+01  0.298393D+01 -0.133709D+02  0.339548D+02  0.174647D+01
      4  -0.661144D+02  0.154962D+00 -0.159158D+02  0.227040D+02  0.798577D+01
      5   0.121115D+02 -0.307851D+01  0.216027D+02 -0.777253D+00 -0.288468D+01
      6   0.734539D+02  0.176656D+02 -0.418373D+02 -0.787175D+01 -0.154309D+02
                41            42            43            44            45 
      1   0.442285D+02  0.268615D+02 -0.949017D+00 -0.972104D+02 -0.651623D+02
      2  -0.126928D+02 -0.136145D+02 -0.560118D+01  0.119714D+03 -0.316016D+02
      3  -0.315356D+02 -0.132469D+02  0.655019D+01 -0.225036D+02  0.967639D+02
      4  -0.629898D+01 -0.459977D+02 -0.193796D+01  0.110754D+01  0.519048D+02
      5   0.659530D+02  0.213808D+01 -0.775407D+01 -0.238917D+02  0.862521D+00
      6  -0.459631D+03 -0.438656D+02  0.156549D+02  0.946516D+02 -0.459533D+02
                46            47            48            49            50 
      1   0.562043D+01  0.569216D+01 -0.119789D+02  0.329086D+01 -0.442393D+02
      2  -0.266858D+02 -0.183044D+02 -0.897802D+01 -0.127816D+02  0.150126D+03
      3   0.210653D+02  0.126123D+02  0.209569D+02  0.949072D+01 -0.105887D+03
      4  -0.110009D+01  0.138008D+02  0.317086D+02 -0.996359D+01  0.388254D+01
      5  -0.679663D+01  0.331596D+02  0.611554D+02 -0.151075D+02 -0.231120D+02
      6   0.326298D+02 -0.546825D+02  0.863358D+01  0.454224D+01  0.215460D+03
                51            52            53            54            55 
      1   0.819564D+01  0.854459D+00 -0.748597D+02  0.677102D+01  0.959320D+00
      2   0.102540D+03 -0.524847D+01  0.814485D+02  0.184610D+01 -0.149989D+01
      3  -0.110736D+03  0.439401D+01 -0.658876D+01 -0.861712D+01  0.540574D+00
      4   0.100096D+02  0.105352D+01  0.977187D+01 -0.714479D+01  0.522443D+00
      5   0.620976D+01  0.127393D+02 -0.167113D+02  0.485553D+00  0.563176D+00
      6  -0.141413D+03 -0.762699D+01  0.181541D+03 -0.886104D+01 -0.701786D+01
                56            57            58            59            60 
      1   0.681036D-01  0.414753D+01 -0.126493D+00 -0.295526D+01  0.517954D+01
      2   0.404473D+00  0.361515D+01 -0.159482D+01 -0.793353D+01  0.200413D+02
      3  -0.472577D+00 -0.776267D+01  0.172132D+01  0.108888D+02 -0.252208D+02
      4  -0.186613D+01 -0.491249D+01  0.800945D+00  0.713304D+00 -0.156029D+01
      5  -0.854144D+01 -0.436148D+01 -0.305438D+01 -0.751941D+00  0.199453D+01
      6   0.939836D+01 -0.708799D+00 -0.991412D+00 -0.144475D+01  0.345782D+01
                61            62            63            64            65 
      1   0.685153D+00  0.497261D+00 -0.189383D+02 -0.526833D+01 -0.502396D+01
      2   0.291912D+01  0.664909D+01 -0.433937D+02 -0.656120D+01 -0.309454D+01
      3  -0.360427D+01 -0.714636D+01  0.623320D+02  0.118295D+02  0.811850D+01
      4   0.501416D+00 -0.277633D+00  0.557603D+00 -0.858755D+01  0.345834D+02
      5   0.649413D+01 -0.877539D+00 -0.549022D+01 -0.931748D+01  0.362870D+02
      6  -0.105427D+01  0.135870D+02  0.885767D+01  0.533485D+02 -0.985662D+01
                66            67            68            69            70 
      1  -0.102045D+02 -0.122963D+01  0.381734D+02 -0.293234D+02 -0.408834D+01
      2   0.432416D+01  0.799955D+01 -0.129289D+03 -0.509670D+02 -0.484166D+01
      3   0.588035D+01 -0.676992D+01  0.911152D+02  0.802905D+02  0.892999D+01
      4   0.429595D+02  0.701168D+01 -0.123090D+02  0.160194D+01  0.248807D+02
      5   0.500517D+02  0.621327D+01  0.810515D+01 -0.200960D+01  0.229541D+02
      6   0.142188D+01 -0.371339D+01 -0.385645D+02  0.166639D+03  0.530592D+01
                71            72            73            74            75 
      1  -0.403794D+02  0.347351D+01 -0.511276D+00  0.346716D+01  0.555086D+01
      2   0.140193D+03  0.228535D+02  0.566048D+00  0.158184D+01 -0.322372D+00
      3  -0.998132D+02 -0.263270D+02 -0.547724D-01 -0.504901D+01 -0.522849D+01
      4   0.480344D+01  0.707311D+01 -0.390918D+00  0.846423D+00 -0.152120D+01
      5  -0.815169D+01  0.573174D+01 -0.583138D+00 -0.280362D+00 -0.831752D+00
      6   0.126539D+03 -0.452483D+02 -0.901960D+00 -0.456078D+01 -0.891404D+01
                76            77            78            79            80 
      1   0.261939D+01 -0.325949D+02 -0.341801D+02  0.426418D+01 -0.422376D+02
      2  -0.160071D+01  0.210185D+02  0.179277D+02  0.100521D+01  0.315676D+01
      3  -0.101869D+01  0.115764D+02  0.162524D+02 -0.526939D+01  0.390808D+02
      4   0.542446D+01 -0.522292D+01 -0.295210D+01  0.612445D+01 -0.546261D+01
      5   0.406097D+01 -0.633886D+01 -0.483176D+01  0.890337D+01 -0.805340D+01
      6  -0.580257D+01  0.736722D+02  0.618196D+02 -0.970772D+01  0.860046D+02
                81            82            83            84            85 
      1  -0.603983D+02 -0.390263D+01 -0.726761D+01  0.431028D+01  0.152870D+01
      2  -0.116093D+02  0.401445D+02  0.918929D+01  0.125225D+00 -0.121196D+01
      3   0.720077D+02 -0.362419D+02 -0.192168D+01 -0.443550D+01 -0.316736D+00
      4  -0.753135D+01 -0.677552D+01  0.852427D+02  0.197537D+02  0.246050D+02
      5  -0.122398D+02 -0.106749D+01  0.297755D+02  0.545065D+01  0.833380D+01
      6   0.114993D+03  0.320639D+02  0.384783D+01 -0.131693D+02 -0.104299D+02
                86            87            88            89            90 
      1  -0.306750D+02 -0.461968D+02  0.458220D+01  0.769117D+01 -0.238635D+02
      2   0.496660D+02  0.423773D+02  0.162478D+01 -0.647339D+02  0.313628D+02
      3  -0.189910D+02  0.381946D+01 -0.620698D+01  0.570427D+02 -0.749933D+01
      4  -0.105276D+02 -0.314024D+01 -0.149087D+02 -0.163104D+02 -0.715896D+01
      5  -0.554839D+01 -0.527916D+01 -0.179773D+02  0.169242D+01 -0.351635D+01
      6   0.159916D+03  0.133617D+03 -0.101908D+02  0.620206D+02  0.131153D+03
                91            92            93            94            95 
      1   0.399708D+00  0.211744D+01 -0.166737D+01  0.186554D+01 -0.598856D+02
      2  -0.228021D+00 -0.511536D+01 -0.776193D+00 -0.657317D+01  0.157347D+03
      3  -0.171687D+00  0.299792D+01  0.244356D+01  0.470763D+01 -0.974614D+02
      4   0.257379D-01 -0.381523D+01 -0.241672D+01  0.103778D+02 -0.942999D+01
      5   0.182974D+00 -0.108531D+01 -0.397536D+00  0.209010D+01 -0.145805D+01
      6  -0.310403D+01 -0.948030D+01  0.755739D+00 -0.121043D+01  0.423495D+02
                96            97            98            99           100 
      1  -0.332398D+01 -0.932791D-02  0.900863D+01 -0.519521D+01  0.134056D+02
      2   0.744615D+01  0.809664D+00 -0.363761D+02  0.840084D+01  0.106925D+01
      3  -0.412217D+01 -0.800336D+00  0.273675D+02 -0.320562D+01 -0.144749D+02
      4   0.575658D+00 -0.218719D+01  0.286459D+00 -0.906227D+00  0.992566D+00
      5  -0.152600D+00  0.948966D+00 -0.136663D+01 -0.364949D+00 -0.228013D+00
      6   0.302109D+01 -0.109939D+01  0.129026D+02  0.600139D+01 -0.779941D+01
               101           102           103           104           105 
      1   0.261820D+00 -0.156647D+02 -0.671114D+00  0.337870D+02  0.170426D+02
      2   0.254393D+01  0.797238D+01  0.599171D+01 -0.704985D+02 -0.776734D+02
      3  -0.280575D+01  0.769234D+01 -0.532059D+01  0.367115D+02  0.606309D+02
      4   0.545100D+00 -0.308215D+01 -0.951769D+01  0.238334D+02  0.750901D+01
      5   0.622280D+01  0.367250D+01 -0.745067D+00  0.100988D+02  0.102168D+01
      6  -0.651616D+01  0.203250D+02  0.999739D+01 -0.195627D+03 -0.740016D+02
               106           107           108           109           110 
      1  -0.283187D+01  0.244924D+02  0.562217D+01  0.136416D+02 -0.222366D+01
      2   0.647368D+01 -0.555138D+02 -0.443720D+02  0.604382D+01  0.231779D+01
      3  -0.364181D+01  0.310215D+02  0.387498D+02 -0.196854D+02 -0.941303D-01
      4   0.699909D+01  0.158733D+02  0.517302D+01  0.403774D+01  0.190755D+02
      5   0.149913D+02 -0.685280D+01  0.149335D+01  0.184080D+01 -0.148864D+02
      6   0.925745D+01 -0.500193D+02 -0.749428D+02 -0.190712D+02  0.321559D+02
               111           112           113           114           115 
      1  -0.796289D+00  0.628608D+01 -0.685133D+02 -0.861569D+02 -0.820277D+00
      2   0.393115D+01 -0.840212D+01  0.785350D+02  0.933661D+02 -0.126834D+01
      3  -0.313486D+01  0.211604D+01 -0.100217D+02 -0.720928D+01  0.208862D+01
      4  -0.274821D+02 -0.324509D+01 -0.351691D+02 -0.169100D+02 -0.182389D+02
      5  -0.676192D+00 -0.104504D+02 -0.183083D+02 -0.157291D+02 -0.134984D+02
      6   0.122586D+02 -0.341085D+02  0.431738D+03  0.323492D+03  0.832762D+00
               116           117           118           119           120 
      1   0.113870D+02  0.254759D+02 -0.124936D+01  0.166747D+01  0.143801D+02
      2   0.167767D+02  0.222039D+02  0.272616D+01  0.536922D+01 -0.340710D+01
      3  -0.281637D+02 -0.476798D+02 -0.147681D+01 -0.703669D+01 -0.109730D+02
      4  -0.108710D+02 -0.225292D+01  0.126014D+01  0.614094D+01 -0.804481D+01
      5   0.979640D+01  0.406033D+01 -0.347198D-01 -0.807777D+01  0.212913D+01
      6  -0.478008D+02 -0.149785D+02 -0.432405D+01  0.234451D+02 -0.112655D+02
               121           122           123           124           125 
      1  -0.530687D+00 -0.187723D+02  0.564397D+01  0.332406D+00  0.513107D+01
      2   0.182955D+01  0.531959D+02 -0.286740D+02 -0.939293D+00 -0.188838D+02
      3  -0.129886D+01 -0.344236D+02  0.230301D+02  0.606887D+00  0.137527D+02
      4   0.719974D+01  0.396359D+01  0.574251D+01 -0.312729D+01 -0.378326D+01
      5  -0.284720D+01 -0.472808D+01  0.160778D+00  0.205554D+01 -0.134970D+01
      6   0.887602D+00 -0.148758D+02  0.259810D+02 -0.844834D+00  0.513880D+02
               126           127           128           129           130 
      1  -0.136446D+02 -0.209997D+02  0.250078D+02  0.582365D+02  0.669522D+01
      2   0.152764D+02  0.197260D+02 -0.342072D+02 -0.528963D+02 -0.573621D+01
      3  -0.163183D+01  0.127367D+01  0.919949D+01 -0.534025D+01 -0.959011D+00
      4   0.152970D+01 -0.107000D+02  0.341356D+01  0.391184D+00  0.256371D+01
      5  -0.129332D+01  0.360560D+02 -0.195691D+02 -0.173976D+02 -0.128426D+02
      6  -0.114531D+02  0.144699D+02 -0.337882D+02 -0.601644D+02 -0.949180D+01
               131           132           133           134           135 
      1  -0.392739D+01 -0.379508D+02  0.101547D+02 -0.214942D+02 -0.191040D+02
      2   0.145077D+02  0.187662D+02 -0.108618D+02  0.211270D+02  0.621929D+02
      3  -0.105803D+02  0.191845D+02  0.707119D+00  0.367215D+00 -0.430889D+02
      4  -0.141376D+01  0.711564D+01 -0.237699D+00 -0.100149D+02 -0.550254D+01
      5  -0.140204D+02  0.753530D+01 -0.122779D+02  0.425521D+01  0.675327D+01
      6   0.130982D+03  0.266308D+02 -0.200792D+02  0.887321D+02  0.106558D+03
               136           137           138           139           140 
      1   0.413261D+02 -0.151925D+02 -0.285077D+02 -0.351059D+01  0.382480D+01
      2  -0.288224D+02  0.216027D+02  0.428582D+02  0.319831D+01 -0.440476D+01
      3  -0.125037D+02 -0.641020D+01 -0.143505D+02  0.312275D+00  0.579961D+00
      4   0.103900D+02 -0.235723D+01 -0.839849D+01  0.556017D+01 -0.540700D+00
      5  -0.332943D+02  0.111182D+02  0.273205D+02  0.361881D+01 -0.315427D+01
      6  -0.168391D+02  0.604738D+01  0.482823D+02 -0.262776D+01 -0.403550D+01
               141           142           143           144           145 
      1   0.120270D+01  0.128176D+01  0.899757D+00  0.283997D+01 -0.776164D+01
      2  -0.117678D+01  0.512486D+01 -0.254288D+01 -0.135118D+02 -0.611788D+01
      3  -0.259174D-01 -0.640662D+01  0.164313D+01  0.106718D+02  0.138795D+02
      4  -0.125356D+01 -0.221278D+00 -0.367266D+00  0.333457D+01  0.190255D+02
      5  -0.275017D+01  0.822647D+01  0.210285D+00 -0.758900D+01 -0.425498D+02
      6   0.132367D+02  0.466016D+01 -0.267402D+02 -0.208663D+02  0.155494D+02
               146           147           148           149           150 
      1   0.207082D+01 -0.141110D+02  0.466135D+01  0.602762D+01  0.140676D+02
      2  -0.304157D+01 -0.274270D+01 -0.100163D+02 -0.237434D+02  0.345453D+02
      3   0.970751D+00  0.168537D+02  0.535490D+01  0.177158D+02 -0.486129D+02
      4  -0.877113D+01  0.375701D+01 -0.589128D+01 -0.136085D+02 -0.309703D+01
      5   0.112783D+02 -0.113535D+01  0.110235D+02  0.152174D+02 -0.143681D+01
      6   0.204296D+02  0.417182D+01  0.847120D+01  0.303943D+02  0.455601D+01
               151           152           153           154           155 
      1  -0.217765D+01  0.132844D+02  0.179876D+01  0.111441D+01 -0.251217D+01
      2  -0.378018D+01  0.145363D+02 -0.936687D+01  0.533521D+01  0.922761D+01
      3   0.595784D+01 -0.278207D+02  0.756811D+01 -0.644961D+01 -0.671544D+01
      4  -0.524992D+00  0.705281D+00 -0.877227D+01  0.565016D+01  0.115702D+02
      5   0.290597D+01 -0.208681D+01  0.119385D+02 -0.397815D+01 -0.116689D+02
      6  -0.262871D+01 -0.735918D+01 -0.459269D+02 -0.125314D+02 -0.185594D+02
               156           157           158           159           160 
      1   0.548542D+01 -0.315918D+01 -0.154933D+02  0.948844D+01  0.226341D+01
      2   0.406148D+01  0.828302D+01  0.361741D+02 -0.460636D+01  0.221802D+01
      3  -0.954690D+01 -0.512384D+01 -0.206808D+02 -0.488209D+01 -0.448143D+01
      4  -0.410424D+01  0.897737D+01  0.120286D+02 -0.313006D+01 -0.680099D+00
      5   0.552696D+01 -0.876348D+01 -0.117558D+02  0.390224D+01  0.199385D+01
      6   0.794344D+01 -0.113465D+02 -0.543056D+02  0.207294D+02  0.316471D+01
               161           162           163           164           165 
      1   0.391774D+01 -0.568207D+01  0.210070D+02 -0.350395D+01 -0.331344D+01
      2   0.700016D+00  0.351067D+01 -0.523477D+01 -0.202507D+01 -0.111350D+02
      3  -0.461776D+01  0.217140D+01 -0.157722D+02  0.552902D+01  0.144484D+02
      4  -0.108249D+01  0.421584D+01 -0.249641D+02  0.108094D+02 -0.640754D+01
      5   0.190995D+01 -0.608472D+01  0.445248D+02 -0.128774D+02  0.140195D+02
      6   0.152198D+02 -0.649587D+01 -0.174648D+02  0.114965D+02 -0.130849D+02
               166           167           168           169           170 
      1  -0.119919D+01  0.158096D+01 -0.403090D+00 -0.362957D+01 -0.172523D+01
      2  -0.200777D+01  0.437034D+01 -0.585238D+01 -0.350601D+01  0.987004D+00
      3   0.320696D+01 -0.595129D+01  0.625547D+01  0.713558D+01  0.738224D+00
      4   0.736384D+01 -0.428567D+01  0.259674D+01  0.335420D+00  0.266523D+00
      5  -0.574164D+01  0.647413D+01 -0.319593D+01  0.515491D+01 -0.132465D+01
      6   0.712305D+01 -0.777301D+01  0.223839D+01 -0.311361D+01  0.563716D+00
               171           172           173           174           175 
      1   0.170663D+01 -0.777585D+01 -0.711734D+01  0.254068D+02 -0.315078D+01
      2  -0.115433D+01  0.168989D+02 -0.236430D+01  0.182601D+02 -0.509559D+00
      3  -0.552307D+00 -0.912301D+01  0.948164D+01 -0.436669D+02  0.366034D+01
      4  -0.372121D+01 -0.904972D+01  0.578981D+00  0.296463D+01  0.163019D-01
      5   0.715547D+01  0.661502D+02  0.679074D+01 -0.184425D+02 -0.247256D+01
      6   0.484539D+01  0.576323D+01 -0.250410D+02  0.161720D+02 -0.152077D+02
               176           177           178           179           180 
      1   0.567558D+01 -0.351533D+02  0.103767D+02 -0.247767D+02  0.269364D+02
      2   0.767195D+01 -0.401211D+02  0.104645D+02 -0.296582D+02  0.121008D+02
      3  -0.133475D+02  0.752744D+02 -0.208412D+02  0.544349D+02 -0.390372D+02
      4   0.393228D+01 -0.187946D+01  0.898389D+00 -0.149408D+01  0.406351D+01
      5  -0.158834D+02  0.598688D+01 -0.693325D+01  0.472346D+01 -0.253303D+02
      6  -0.644958D+01 -0.222606D+02  0.728784D+01 -0.185539D+02  0.618869D+02
               181           182           183           184           185 
      1   0.192620D+02  0.206701D+01  0.157777D+01 -0.252520D+00  0.848473D+00
      2  -0.269829D+02  0.406772D-02  0.211952D+02  0.154904D+01 -0.267399D+01
      3   0.772085D+01 -0.207108D+01 -0.227729D+02 -0.129652D+01  0.182551D+01
      4   0.123683D+02  0.522446D+01 -0.554433D+01  0.605016D+01  0.165096D+01
      5  -0.758169D+02 -0.952928D+01  0.356461D+02  0.176002D+01 -0.721074D+01
      6  -0.957350D+01 -0.108861D+02  0.503413D+01 -0.772783D+01  0.655590D+00
               186           187           188           189           190 
      1   0.394743D+01  0.357041D+01  0.396946D+01 -0.318158D+01 -0.528291D+01
      2   0.241182D+01  0.785961D+01  0.405889D+01 -0.887912D+01 -0.104132D+02
      3  -0.635924D+01 -0.114300D+02 -0.802835D+01  0.120607D+02  0.156961D+02
      4  -0.184123D+01 -0.340977D+00 -0.553306D+00  0.132286D+01 -0.183866D+01
      5   0.428733D-01  0.115724D+02  0.661874D+00 -0.144428D+02  0.426773D+01
      6   0.846266D+01  0.167491D+01  0.582484D+01 -0.828027D+01 -0.103749D+02
               191           192           193           194           195 
      1   0.559304D+01 -0.171717D+02  0.289153D+01 -0.186449D+02  0.302765D+02
      2   0.391240D+01 -0.201477D+02  0.825968D+00 -0.954328D+01  0.234080D+02
      3  -0.950544D+01  0.373194D+02 -0.371750D+01  0.281881D+02 -0.536844D+02
      4   0.347512D+01 -0.545138D+01  0.304229D+01 -0.189701D+01  0.139429D+01
      5  -0.940460D+01  0.242564D+02 -0.644628D+01  0.719455D+01 -0.492519D+01
      6   0.136741D+02 -0.178576D+02  0.775838D+01 -0.321490D+02  0.482811D+02
               196           197           198           199           200 
      1  -0.704719D+01  0.226942D+02 -0.635278D+02 -0.777585D+01 -0.711734D+01
      2  -0.685518D+01  0.193295D+02 -0.660023D+02  0.168989D+02 -0.236430D+01
      3   0.139024D+02 -0.420236D+02  0.129530D+03 -0.912301D+01  0.948164D+01
      4  -0.279936D+01  0.997085D+00 -0.379662D+01 -0.904972D+01  0.578981D+00
      5   0.137643D+02 -0.333483D+01  0.161266D+02 -0.661502D+02 -0.679074D+01
      6  -0.649045D+01  0.311832D+02 -0.663373D+02 -0.576323D+01  0.250410D+02
               201           202           203           204           205 
      1  -0.254068D+02 -0.315078D+01  0.567558D+01  0.351533D+02 -0.103767D+02
      2  -0.182601D+02 -0.509559D+00  0.767195D+01  0.401211D+02 -0.104645D+02
      3   0.436669D+02  0.366034D+01 -0.133475D+02 -0.752744D+02  0.208412D+02
      4  -0.296463D+01  0.163019D-01  0.393228D+01  0.187946D+01 -0.898389D+00
      5  -0.184425D+02  0.247256D+01  0.158834D+02  0.598688D+01 -0.693325D+01
      6   0.161720D+02  0.152077D+02  0.644958D+01 -0.222606D+02  0.728784D+01
               206           207           208           209           210 
      1   0.247767D+02  0.269364D+02 -0.528291D+01  0.559304D+01  0.171717D+02
      2   0.296582D+02  0.121008D+02 -0.104132D+02  0.391240D+01  0.201477D+02
      3  -0.544349D+02 -0.390372D+02  0.156961D+02 -0.950544D+01 -0.373194D+02
      4   0.149408D+01  0.406351D+01 -0.183866D+01  0.347512D+01  0.545138D+01
      5   0.472346D+01  0.253303D+02 -0.426773D+01  0.940460D+01  0.242564D+02
      6  -0.185539D+02 -0.618869D+02  0.103749D+02 -0.136741D+02 -0.178576D+02
               211           212           213           214           215 
      1   0.289153D+01 -0.186449D+02 -0.302765D+02  0.704719D+01 -0.226942D+02
      2   0.825968D+00 -0.954328D+01 -0.234080D+02  0.685518D+01 -0.193295D+02
      3  -0.371750D+01  0.281881D+02  0.536844D+02 -0.139024D+02  0.420236D+02
      4   0.304229D+01 -0.189701D+01 -0.139429D+01  0.279936D+01 -0.997085D+00
      5   0.644628D+01 -0.719455D+01 -0.492519D+01  0.137643D+02 -0.333483D+01
      6  -0.775838D+01  0.321490D+02  0.482811D+02 -0.649045D+01  0.311832D+02
               216           217           218           219           220 
      1  -0.635278D+02  0.192620D+02  0.206701D+01 -0.157777D+01 -0.252520D+00
      2  -0.660023D+02 -0.269829D+02  0.406772D-02 -0.211952D+02  0.154904D+01
      3   0.129530D+03  0.772085D+01 -0.207108D+01  0.227729D+02 -0.129652D+01
      4  -0.379662D+01  0.123683D+02  0.522446D+01  0.554433D+01  0.605016D+01
      5  -0.161266D+02  0.758169D+02  0.952928D+01  0.356461D+02 -0.176002D+01
      6   0.663373D+02  0.957350D+01  0.108861D+02  0.503413D+01  0.772783D+01
               221           222           223           224           225 
      1   0.848473D+00 -0.394743D+01 -0.357041D+01 -0.396946D+01 -0.318158D+01
      2  -0.267399D+01 -0.241182D+01 -0.785961D+01 -0.405889D+01 -0.887912D+01
      3   0.182551D+01  0.635924D+01  0.114300D+02  0.802835D+01  0.120607D+02
      4   0.165096D+01  0.184123D+01  0.340977D+00  0.553306D+00  0.132286D+01
      5   0.721074D+01  0.428733D-01  0.115724D+02  0.661874D+00  0.144428D+02
      6  -0.655590D+00  0.846266D+01  0.167491D+01  0.582484D+01  0.828027D+01
               226           227           228           229           230 
      1  -0.776164D+01  0.207082D+01  0.141110D+02  0.466135D+01  0.602762D+01
      2  -0.611788D+01 -0.304157D+01  0.274270D+01 -0.100163D+02 -0.237434D+02
      3   0.138795D+02  0.970751D+00 -0.168537D+02  0.535490D+01  0.177158D+02
      4   0.190255D+02 -0.877113D+01 -0.375701D+01 -0.589128D+01 -0.136085D+02
      5   0.425498D+02 -0.112783D+02 -0.113535D+01 -0.110235D+02 -0.152174D+02
      6  -0.155494D+02 -0.204296D+02  0.417182D+01 -0.847120D+01 -0.303943D+02
               231           232           233           234           235 
      1  -0.140676D+02  0.217765D+01 -0.132844D+02  0.179876D+01  0.210070D+02
      2  -0.345453D+02  0.378018D+01 -0.145363D+02 -0.936687D+01 -0.523477D+01
      3   0.486129D+02 -0.595784D+01  0.278207D+02  0.756811D+01 -0.157722D+02
      4   0.309703D+01  0.524992D+00 -0.705281D+00 -0.877227D+01 -0.249641D+02
      5  -0.143681D+01  0.290597D+01 -0.208681D+01 -0.119385D+02 -0.445248D+02
      6   0.455601D+01 -0.262871D+01 -0.735918D+01  0.459269D+02  0.174648D+02
               236           237           238           239           240 
      1  -0.350395D+01  0.331344D+01 -0.119919D+01  0.158096D+01  0.403090D+00
      2  -0.202507D+01  0.111350D+02 -0.200777D+01  0.437034D+01  0.585238D+01
      3   0.552902D+01 -0.144484D+02  0.320696D+01 -0.595129D+01 -0.625547D+01
      4   0.108094D+02  0.640754D+01  0.736384D+01 -0.428567D+01 -0.259674D+01
      5   0.128774D+02  0.140195D+02  0.574164D+01 -0.647413D+01 -0.319593D+01
      6  -0.114965D+02 -0.130849D+02 -0.712305D+01  0.777301D+01  0.223839D+01
               241           242           243           244           245 
      1   0.362957D+01  0.172523D+01  0.170663D+01  0.111441D+01 -0.251217D+01
      2   0.350601D+01 -0.987004D+00 -0.115433D+01  0.533521D+01  0.922761D+01
      3  -0.713558D+01 -0.738224D+00 -0.552307D+00 -0.644961D+01 -0.671544D+01
      4  -0.335420D+00 -0.266523D+00 -0.372121D+01  0.565016D+01  0.115702D+02
      5   0.515491D+01 -0.132465D+01 -0.715547D+01  0.397815D+01  0.116689D+02
      6  -0.311361D+01  0.563716D+00 -0.484539D+01  0.125314D+02  0.185594D+02
               246           247           248           249           250 
      1  -0.548542D+01 -0.315918D+01 -0.154933D+02 -0.948844D+01 -0.226341D+01
      2  -0.406148D+01  0.828302D+01  0.361741D+02  0.460636D+01 -0.221802D+01
      3   0.954690D+01 -0.512384D+01 -0.206808D+02  0.488209D+01  0.448143D+01
      4   0.410424D+01  0.897737D+01  0.120286D+02  0.313006D+01  0.680099D+00
      5   0.552696D+01  0.876348D+01  0.117558D+02  0.390224D+01  0.199385D+01
      6   0.794344D+01  0.113465D+02  0.543056D+02  0.207294D+02  0.316471D+01
               251           252           253           254           255 
      1  -0.391774D+01 -0.568207D+01 -0.209997D+02  0.250078D+02 -0.582365D+02
      2  -0.700016D+00  0.351067D+01  0.197260D+02 -0.342072D+02  0.528963D+02
      3   0.461776D+01  0.217140D+01  0.127367D+01  0.919949D+01  0.534025D+01
      4   0.108249D+01  0.421584D+01 -0.107000D+02  0.341356D+01 -0.391184D+00
      5   0.190995D+01  0.608472D+01 -0.360560D+02  0.195691D+02 -0.173976D+02
      6   0.152198D+02  0.649587D+01 -0.144699D+02  0.337882D+02 -0.601644D+02
               256           257           258           259           260 
      1   0.669522D+01 -0.392739D+01  0.379508D+02 -0.101547D+02  0.214942D+02
      2  -0.573621D+01  0.145077D+02 -0.187662D+02  0.108618D+02 -0.211270D+02
      3  -0.959011D+00 -0.105803D+02 -0.191845D+02 -0.707119D+00 -0.367215D+00
      4   0.256371D+01 -0.141376D+01 -0.711564D+01  0.237699D+00  0.100149D+02
      5   0.128426D+02  0.140204D+02  0.753530D+01 -0.122779D+02  0.425521D+01
      6   0.949180D+01 -0.130982D+03  0.266308D+02 -0.200792D+02  0.887321D+02
               261           262           263           264           265 
      1  -0.191040D+02  0.413261D+02 -0.151925D+02  0.285077D+02 -0.351059D+01
      2   0.621929D+02 -0.288224D+02  0.216027D+02 -0.428582D+02  0.319831D+01
      3  -0.430889D+02 -0.125037D+02 -0.641020D+01  0.143505D+02  0.312275D+00
      4  -0.550254D+01  0.103900D+02 -0.235723D+01  0.839849D+01  0.556017D+01
      5  -0.675327D+01  0.332943D+02 -0.111182D+02  0.273205D+02 -0.361881D+01
      6  -0.106558D+03  0.168391D+02 -0.604738D+01  0.482823D+02  0.262776D+01
               266           267           268           269           270 
      1   0.382480D+01 -0.120270D+01 -0.128176D+01 -0.899757D+00  0.283997D+01
      2  -0.440476D+01  0.117678D+01 -0.512486D+01  0.254288D+01 -0.135118D+02
      3   0.579961D+00  0.259174D-01  0.640662D+01 -0.164313D+01  0.106718D+02
      4  -0.540700D+00  0.125356D+01  0.221278D+00  0.367266D+00  0.333457D+01
      5   0.315427D+01 -0.275017D+01  0.822647D+01  0.210285D+00  0.758900D+01
      6   0.403550D+01  0.132367D+02  0.466016D+01 -0.267402D+02  0.208663D+02
               271           272           273           274           275 
      1   0.136416D+02 -0.222366D+01  0.796289D+00  0.628608D+01 -0.685133D+02
      2   0.604382D+01  0.231779D+01 -0.393115D+01 -0.840212D+01  0.785350D+02
      3  -0.196854D+02 -0.941302D-01  0.313486D+01  0.211604D+01 -0.100217D+02
      4   0.403774D+01  0.190755D+02  0.274821D+02 -0.324509D+01 -0.351691D+02
      5  -0.184080D+01  0.148864D+02 -0.676192D+00  0.104504D+02  0.183083D+02
      6   0.190712D+02 -0.321559D+02  0.122586D+02  0.341085D+02 -0.431738D+03
               276           277           278           279           280 
      1   0.861569D+02  0.820277D+00 -0.113870D+02  0.254759D+02 -0.124936D+01
      2  -0.933661D+02  0.126834D+01 -0.167767D+02  0.222039D+02  0.272616D+01
      3   0.720928D+01 -0.208862D+01  0.281637D+02 -0.476798D+02 -0.147681D+01
      4   0.169100D+02  0.182389D+02  0.108710D+02 -0.225292D+01  0.126014D+01
      5  -0.157291D+02 -0.134984D+02  0.979640D+01 -0.406033D+01  0.347198D-01
      6   0.323492D+03  0.832762D+00 -0.478008D+02  0.149785D+02  0.432405D+01
               281           282           283           284           285 
      1   0.166747D+01 -0.143801D+02 -0.530687D+00 -0.187723D+02 -0.564397D+01
      2   0.536922D+01  0.340710D+01  0.182955D+01  0.531959D+02  0.286740D+02
      3  -0.703669D+01  0.109730D+02 -0.129886D+01 -0.344236D+02 -0.230301D+02
      4   0.614094D+01  0.804481D+01  0.719974D+01  0.396359D+01 -0.574251D+01
      5   0.807777D+01  0.212913D+01  0.284720D+01  0.472808D+01  0.160778D+00
      6  -0.234451D+02 -0.112655D+02 -0.887602D+00  0.148758D+02  0.259810D+02
               286           287           288           289           290 
      1  -0.332406D+00 -0.513107D+01 -0.136446D+02  0.134056D+02  0.261820D+00
      2   0.939293D+00  0.188838D+02  0.152764D+02  0.106925D+01  0.254392D+01
      3  -0.606887D+00 -0.137527D+02 -0.163183D+01 -0.144749D+02 -0.280575D+01
      4   0.312729D+01  0.378326D+01  0.152970D+01  0.992566D+00  0.545100D+00
      5   0.205554D+01 -0.134970D+01  0.129332D+01  0.228013D+00 -0.622280D+01
      6  -0.844834D+00  0.513880D+02  0.114531D+02  0.779941D+01  0.651616D+01
               291           292           293           294           295 
      1   0.156647D+02 -0.671114D+00  0.337870D+02 -0.170426D+02  0.283187D+01
      2  -0.797238D+01  0.599171D+01 -0.704985D+02  0.776734D+02 -0.647368D+01
      3  -0.769234D+01 -0.532059D+01  0.367115D+02 -0.606309D+02  0.364181D+01
      4   0.308215D+01 -0.951769D+01  0.238334D+02 -0.750901D+01 -0.699909D+01
      5   0.367250D+01  0.745067D+00 -0.100988D+02  0.102168D+01  0.149913D+02
      6   0.203250D+02 -0.999739D+01  0.195627D+03 -0.740016D+02  0.925745D+01
               296           297           298           299           300 
      1  -0.244924D+02  0.562217D+01 -0.390263D+01 -0.726761D+01 -0.431028D+01
      2   0.555138D+02 -0.443720D+02  0.401445D+02  0.918929D+01 -0.125225D+00
      3  -0.310215D+02  0.387498D+02 -0.362419D+02 -0.192168D+01  0.443550D+01
      4  -0.158733D+02  0.517302D+01 -0.677552D+01  0.852427D+02 -0.197537D+02
      5  -0.685280D+01 -0.149335D+01  0.106749D+01 -0.297755D+02  0.545065D+01
      6  -0.500193D+02  0.749428D+02 -0.320639D+02 -0.384783D+01 -0.131693D+02
               301           302           303           304           305 
      1   0.152870D+01 -0.306750D+02  0.461968D+02 -0.458220D+01 -0.769117D+01
      2  -0.121196D+01  0.496660D+02 -0.423773D+02 -0.162478D+01  0.647339D+02
      3  -0.316736D+00 -0.189910D+02 -0.381946D+01  0.620698D+01 -0.570427D+02
      4   0.246050D+02 -0.105276D+02  0.314024D+01  0.149087D+02  0.163104D+02
      5  -0.833380D+01  0.554839D+01 -0.527916D+01 -0.179773D+02  0.169242D+01
      6   0.104299D+02 -0.159916D+03  0.133617D+03 -0.101908D+02  0.620206D+02
               306           307           308           309           310 
      1  -0.238635D+02  0.399708D+00  0.211744D+01  0.166737D+01  0.186554D+01
      2   0.313628D+02 -0.228021D+00 -0.511536D+01  0.776193D+00 -0.657317D+01
      3  -0.749933D+01 -0.171687D+00  0.299792D+01 -0.244356D+01  0.470763D+01
      4  -0.715896D+01  0.257379D-01 -0.381523D+01  0.241672D+01  0.103778D+02
      5   0.351635D+01 -0.182974D+00  0.108531D+01 -0.397536D+00 -0.209010D+01
      6  -0.131153D+03  0.310403D+01  0.948030D+01  0.755739D+00  0.121043D+01
               311           312           313           314           315 
      1  -0.598856D+02  0.332398D+01  0.932791D-02 -0.900863D+01 -0.519521D+01
      2   0.157347D+03 -0.744615D+01 -0.809664D+00  0.363761D+02  0.840084D+01
      3  -0.974614D+02  0.412217D+01  0.800336D+00 -0.273675D+02 -0.320562D+01
      4  -0.942999D+01 -0.575658D+00  0.218719D+01 -0.286459D+00 -0.906227D+00
      5   0.145805D+01 -0.152600D+00  0.948966D+00 -0.136663D+01  0.364949D+00
      6  -0.423495D+02  0.302109D+01 -0.109939D+01  0.129026D+02 -0.600139D+01
               316           317           318           319           320 
      1  -0.526833D+01 -0.502396D+01  0.102045D+02 -0.122963D+01  0.381734D+02
      2  -0.656120D+01 -0.309454D+01 -0.432416D+01  0.799955D+01 -0.129289D+03
      3   0.118295D+02  0.811850D+01 -0.588035D+01 -0.676992D+01  0.911152D+02
      4  -0.858755D+01  0.345834D+02 -0.429595D+02  0.701168D+01 -0.123090D+02
      5   0.931748D+01 -0.362870D+02  0.500517D+02 -0.621327D+01 -0.810515D+01
      6  -0.533485D+02  0.985662D+01  0.142188D+01  0.371339D+01  0.385645D+02
               321           322           323           324           325 
      1   0.293234D+02  0.408834D+01  0.403794D+02  0.347351D+01 -0.511276D+00
      2   0.509670D+02  0.484166D+01 -0.140193D+03  0.228535D+02  0.566048D+00
      3  -0.802905D+02 -0.892999D+01  0.998132D+02 -0.263270D+02 -0.547724D-01
      4  -0.160194D+01 -0.248807D+02 -0.480344D+01  0.707311D+01 -0.390918D+00
      5  -0.200960D+01  0.229541D+02 -0.815169D+01 -0.573174D+01  0.583138D+00
      6   0.166639D+03  0.530592D+01  0.126539D+03  0.452483D+02  0.901960D+00
               326           327           328           329           330 
      1   0.346716D+01 -0.555086D+01  0.261939D+01 -0.325949D+02  0.341801D+02
      2   0.158184D+01  0.322372D+00 -0.160071D+01  0.210185D+02 -0.179277D+02
      3  -0.504901D+01  0.522849D+01 -0.101869D+01  0.115764D+02 -0.162524D+02
      4   0.846423D+00  0.152120D+01  0.542446D+01 -0.522292D+01  0.295210D+01
      5   0.280362D+00 -0.831752D+00 -0.406097D+01  0.633886D+01 -0.483176D+01
      6   0.456078D+01 -0.891404D+01  0.580257D+01 -0.736722D+02  0.618196D+02
               331           332           333           334           335 
      1  -0.426418D+01  0.422376D+02 -0.603983D+02  0.562043D+01  0.569216D+01
      2  -0.100521D+01 -0.315676D+01 -0.116093D+02 -0.266858D+02 -0.183044D+02
      3   0.526939D+01 -0.390808D+02  0.720077D+02  0.210653D+02  0.126123D+02
      4  -0.612445D+01  0.546261D+01 -0.753135D+01 -0.110009D+01  0.138008D+02
      5   0.890337D+01 -0.805340D+01  0.122398D+02  0.679663D+01 -0.331596D+02
      6  -0.970772D+01  0.860046D+02 -0.114993D+03 -0.326298D+02  0.546825D+02
               336           337           338           339           340 
      1   0.119789D+02  0.329086D+01 -0.442393D+02 -0.819564D+01 -0.854459D+00
      2   0.897802D+01 -0.127816D+02  0.150126D+03 -0.102540D+03  0.524847D+01
      3  -0.209569D+02  0.949072D+01 -0.105887D+03  0.110736D+03 -0.439401D+01
      4  -0.317086D+02 -0.996359D+01  0.388254D+01 -0.100096D+02 -0.105352D+01
      5   0.611554D+02  0.151075D+02  0.231120D+02  0.620976D+01  0.127393D+02
      6   0.863358D+01 -0.454224D+01 -0.215460D+03 -0.141413D+03 -0.762699D+01
               341           342           343           344           345 
      1   0.748597D+02  0.677102D+01  0.959320D+00  0.681036D-01 -0.414753D+01
      2  -0.814485D+02  0.184610D+01 -0.149989D+01  0.404473D+00 -0.361515D+01
      3   0.658876D+01 -0.861712D+01  0.540574D+00 -0.472577D+00  0.776267D+01
      4  -0.977187D+01 -0.714479D+01  0.522443D+00 -0.186613D+01  0.491249D+01
      5  -0.167113D+02 -0.485553D+00 -0.563176D+00  0.854144D+01 -0.436148D+01
      6   0.181541D+03  0.886104D+01  0.701786D+01 -0.939836D+01 -0.708799D+00
               346           347           348           349           350 
      1  -0.126493D+00 -0.295526D+01 -0.517954D+01 -0.685153D+00 -0.497261D+00
      2  -0.159482D+01 -0.793353D+01 -0.200413D+02 -0.291912D+01 -0.664909D+01
      3   0.172132D+01  0.108888D+02  0.252208D+02  0.360427D+01  0.714636D+01
      4   0.800945D+00  0.713304D+00  0.156029D+01 -0.501416D+00  0.277633D+00
      5   0.305438D+01  0.751941D+00  0.199453D+01  0.649413D+01 -0.877539D+00
      6   0.991412D+00  0.144475D+01  0.345782D+01 -0.105427D+01  0.135870D+02
               351 
      1  -0.189383D+02
      2  -0.433937D+02
      3   0.623320D+02
      4   0.557603D+00
      5   0.549022D+01
      6  -0.885767D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep  6 14:32:34 2021, MaxMem=  8589934592 cpu:           81826.5 elap:           10229.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (A)
                 (B) (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (A) (B) (A) (B)
                 (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (B) (A)
                 (A) (B) (A) (A) (B) (A) (A) (B) (B) (A) (A) (A)
                 (B)
       Virtual   (B) (A) (B) (A) (B) (B) (A) (A) (B) (A) (B) (B)
                 (B) (A) (A) (A) (B) (A) (B) (A) (B) (B) (A) (B)
                 (A) (A) (B) (B) (A) (A) (B) (B) (A) (A) (A) (B)
                 (A) (B) (A) (B) (A) (B) (B) (A) (B) (B) (A) (A)
                 (B) (B) (A) (B) (A) (B) (B) (A) (A) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (A) (A) (B) (B) (B) (A) (A) (B) (A) (B)
                 (A) (A) (A) (B) (B) (A) (B) (A) (A) (B) (B) (A)
                 (A) (B) (B) (B) (B) (A) (B) (A) (A) (B) (A) (B)
                 (B) (A) (B) (A) (B) (A) (A) (B) (A) (B) (A) (B)
                 (A) (B) (B) (A) (A) (A) (B) (B) (A) (B) (A) (A)
                 (B) (A) (B) (A) (B) (B) (A) (A) (B) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A) (A)
                 (A) (B) (B) (A) (B) (B) (A) (B) (B) (B) (A) (A)
                 (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (B) (B)
                 (A) (A) (A) (B) (A) (B) (A) (B) (A) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B)
                 (B) (A) (A) (B) (A) (B) (B) (A) (A) (A) (B) (A)
                 (A) (B) (B) (A) (A) (B) (B) (B) (A) (B) (A) (B)
                 (A) (B) (B) (A) (A) (B) (B) (A) (B) (A) (A) (B)
                 (A) (A) (B) (A) (B) (B) (A) (B) (B) (A) (A) (A)
                 (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (B)
                 (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (A) (B) (B) (A) (A) (B) (A) (A) (B)
                 (B) (A) (B) (A) (B) (B) (B) (A) (A) (A) (B) (A)
                 (B) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B) (B)
                 (A) (A) (B) (A) (A) (A) (B) (B) (A) (B) (A) (A)
                 (B) (A) (B) (B) (A) (B) (A) (A) (B) (B) (A) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (A) (A) (B) (B) (B)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
                 (B) (A) (B) (B) (A) (A) (A) (B) (A) (B) (A) (B)
                 (B) (B) (A) (A) (B) (B) (A) (A) (A) (B) (A) (A)
                 (B) (A) (B) (A) (B) (B) (B) (A) (A) (B) (B) (B)
                 (A) (A) (A) (B) (B) (A) (B) (B) (A) (A) (A) (B)
                 (B) (A) (B) (B) (B) (A) (A) (A) (B) (A) (B) (B)
                 (A) (A) (B) (B) (A) (A) (A) (B) (B) (A) (A) (B)
                 (B) (B) (A) (A) (B) (A) (B) (A) (A) (B) (A) (B)
                 (A) (B) (B) (B) (A) (A) (B) (B) (A) (B) (A) (B)
                 (A) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (B)
                 (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (B) (B)
                 (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -299.84606 -35.78949 -31.23630 -31.23452 -31.20394
 Alpha  occ. eigenvalues --  -14.35210 -14.35206 -14.32616 -14.32615 -10.24614
 Alpha  occ. eigenvalues --  -10.24611 -10.23683 -10.23670 -10.20331 -10.20331
 Alpha  occ. eigenvalues --  -10.20194 -10.20181 -10.19795 -10.19793 -10.19207
 Alpha  occ. eigenvalues --  -10.19205 -10.17368 -10.17367 -10.16185 -10.16185
 Alpha  occ. eigenvalues --   -4.00669  -2.61443  -2.61007  -2.55923  -0.96491
 Alpha  occ. eigenvalues --   -0.95080  -0.93163  -0.91386  -0.84617  -0.78072
 Alpha  occ. eigenvalues --   -0.76909  -0.74255  -0.73970  -0.72373  -0.70486
 Alpha  occ. eigenvalues --   -0.66010  -0.64734  -0.60061  -0.59948  -0.58244
 Alpha  occ. eigenvalues --   -0.57088  -0.55957  -0.53408  -0.52869  -0.52103
 Alpha  occ. eigenvalues --   -0.51214  -0.50835  -0.49510  -0.48099  -0.47564
 Alpha  occ. eigenvalues --   -0.44755  -0.43297  -0.43296  -0.42035  -0.41858
 Alpha  occ. eigenvalues --   -0.40903  -0.40158  -0.38981  -0.38833  -0.38455
 Alpha  occ. eigenvalues --   -0.38360  -0.38067  -0.37951  -0.36974  -0.36570
 Alpha  occ. eigenvalues --   -0.34959  -0.34956  -0.34033  -0.33953  -0.32301
 Alpha  occ. eigenvalues --   -0.31159  -0.30794  -0.28638  -0.27101  -0.26393
 Alpha  occ. eigenvalues --   -0.23505  -0.23183  -0.21911  -0.20261  -0.20042
 Alpha virt. eigenvalues --   -0.06423  -0.04414  -0.03944   0.00625   0.01525
 Alpha virt. eigenvalues --    0.02023   0.02684   0.03992   0.04531   0.04709
 Alpha virt. eigenvalues --    0.05220   0.05829   0.06035   0.06191   0.06975
 Alpha virt. eigenvalues --    0.07046   0.07055   0.07659   0.08094   0.08312
 Alpha virt. eigenvalues --    0.08756   0.09328   0.09428   0.09873   0.10242
 Alpha virt. eigenvalues --    0.10653   0.11722   0.11999   0.12704   0.13601
 Alpha virt. eigenvalues --    0.13959   0.14772   0.15107   0.15243   0.15641
 Alpha virt. eigenvalues --    0.15804   0.16481   0.16671   0.16998   0.17555
 Alpha virt. eigenvalues --    0.17626   0.18375   0.18533   0.18846   0.19564
 Alpha virt. eigenvalues --    0.19980   0.20193   0.20458   0.21342   0.21886
 Alpha virt. eigenvalues --    0.22105   0.22334   0.22646   0.22955   0.23357
 Alpha virt. eigenvalues --    0.23518   0.23916   0.24895   0.25176   0.25236
 Alpha virt. eigenvalues --    0.25614   0.26121   0.26608   0.26797   0.26797
 Alpha virt. eigenvalues --    0.27851   0.27989   0.28212   0.28328   0.28953
 Alpha virt. eigenvalues --    0.28953   0.29357   0.29643   0.30032   0.30517
 Alpha virt. eigenvalues --    0.30856   0.31502   0.31596   0.32120   0.32296
 Alpha virt. eigenvalues --    0.32485   0.33061   0.33068   0.33133   0.33457
 Alpha virt. eigenvalues --    0.33953   0.34235   0.34301   0.34461   0.34504
 Alpha virt. eigenvalues --    0.34648   0.34815   0.35379   0.35667   0.36332
 Alpha virt. eigenvalues --    0.36716   0.36810   0.36860   0.36899   0.37344
 Alpha virt. eigenvalues --    0.38130   0.38176   0.38776   0.38796   0.39267
 Alpha virt. eigenvalues --    0.39508   0.39775   0.40143   0.40879   0.40970
 Alpha virt. eigenvalues --    0.41325   0.41534   0.41706   0.41749   0.42081
 Alpha virt. eigenvalues --    0.42767   0.42769   0.43331   0.43364   0.44227
 Alpha virt. eigenvalues --    0.44314   0.44887   0.45353   0.45450   0.45861
 Alpha virt. eigenvalues --    0.46024   0.46116   0.46808   0.46822   0.47353
 Alpha virt. eigenvalues --    0.47585   0.48034   0.48099   0.48190   0.49248
 Alpha virt. eigenvalues --    0.49361   0.49668   0.50277   0.50426   0.50710
 Alpha virt. eigenvalues --    0.50818   0.51002   0.51378   0.51567   0.51670
 Alpha virt. eigenvalues --    0.52386   0.53067   0.53256   0.54175   0.54303
 Alpha virt. eigenvalues --    0.54695   0.55143   0.55429   0.55952   0.56398
 Alpha virt. eigenvalues --    0.56680   0.57041   0.57137   0.57480   0.57970
 Alpha virt. eigenvalues --    0.58629   0.58904   0.59847   0.60349   0.60698
 Alpha virt. eigenvalues --    0.61534   0.61543   0.61959   0.62194   0.62934
 Alpha virt. eigenvalues --    0.63539   0.63845   0.63864   0.64314   0.65501
 Alpha virt. eigenvalues --    0.65514   0.65883   0.66059   0.66428   0.66899
 Alpha virt. eigenvalues --    0.67458   0.67789   0.68166   0.68186   0.69146
 Alpha virt. eigenvalues --    0.69460   0.70044   0.70398   0.71089   0.71520
 Alpha virt. eigenvalues --    0.71747   0.72240   0.72362   0.73178   0.73335
 Alpha virt. eigenvalues --    0.74018   0.74589   0.75353   0.75647   0.76085
 Alpha virt. eigenvalues --    0.76965   0.78440   0.78711   0.78878   0.79530
 Alpha virt. eigenvalues --    0.79572   0.80088   0.81015   0.81325   0.82688
 Alpha virt. eigenvalues --    0.83366   0.83594   0.83900   0.84083   0.84709
 Alpha virt. eigenvalues --    0.85568   0.85968   0.86072   0.86292   0.86380
 Alpha virt. eigenvalues --    0.87022   0.87813   0.89683   0.90597   0.90767
 Alpha virt. eigenvalues --    0.91463   0.92627   0.92872   0.93432   0.94215
 Alpha virt. eigenvalues --    0.94885   0.94952   0.96126   0.96289   0.96808
 Alpha virt. eigenvalues --    0.96907   0.97292   0.97858   0.98282   0.98318
 Alpha virt. eigenvalues --    0.99113   1.00122   1.00231   1.01696   1.01755
 Alpha virt. eigenvalues --    1.03441   1.03763   1.05581   1.05778   1.05903
 Alpha virt. eigenvalues --    1.06574   1.07156   1.07543   1.08509   1.09429
 Alpha virt. eigenvalues --    1.09500   1.09823   1.10303   1.10784   1.11115
 Alpha virt. eigenvalues --    1.11855   1.12009   1.12782   1.14244   1.15188
 Alpha virt. eigenvalues --    1.15720   1.16599   1.16761   1.16979   1.17813
 Alpha virt. eigenvalues --    1.18014   1.18447   1.19037   1.20326   1.22253
 Alpha virt. eigenvalues --    1.22370   1.23651   1.24966   1.25523   1.27780
 Alpha virt. eigenvalues --    1.28248   1.29229   1.29453   1.30619   1.31477
 Alpha virt. eigenvalues --    1.32680   1.34128   1.34477   1.34874   1.35074
 Alpha virt. eigenvalues --    1.36806   1.37671   1.37804   1.39240   1.40680
 Alpha virt. eigenvalues --    1.41380   1.42619   1.43926   1.44234   1.46126
 Alpha virt. eigenvalues --    1.46761   1.47024   1.48085   1.48964   1.49924
 Alpha virt. eigenvalues --    1.50942   1.51552   1.52475   1.55476   1.56044
 Alpha virt. eigenvalues --    1.57468   1.57612   1.58740   1.58992   1.59224
 Alpha virt. eigenvalues --    1.60450   1.61363   1.62559   1.62831   1.64666
 Alpha virt. eigenvalues --    1.64928   1.66408   1.67324   1.67868   1.68223
 Alpha virt. eigenvalues --    1.70033   1.70207   1.70812   1.71213   1.72011
 Alpha virt. eigenvalues --    1.73081   1.74386   1.74728   1.75875   1.77047
 Alpha virt. eigenvalues --    1.78555   1.79643   1.80389   1.80997   1.81529
 Alpha virt. eigenvalues --    1.82864   1.84168   1.84234   1.86495   1.87237
 Alpha virt. eigenvalues --    1.88270   1.88430   1.88658   1.88758   1.90491
 Alpha virt. eigenvalues --    1.90996   1.91698   1.91746   1.92111   1.93912
 Alpha virt. eigenvalues --    1.94220   1.95545   1.96674   1.97732   1.98062
 Alpha virt. eigenvalues --    1.98122   1.98599   1.98919   2.00592   2.00851
 Alpha virt. eigenvalues --    2.01791   2.02756   2.03495   2.03959   2.05246
 Alpha virt. eigenvalues --    2.06264   2.06601   2.07367   2.08309   2.09369
 Alpha virt. eigenvalues --    2.09994   2.10102   2.10887   2.12107   2.13037
 Alpha virt. eigenvalues --    2.13893   2.14627   2.15238   2.15936   2.16189
 Alpha virt. eigenvalues --    2.16760   2.17586   2.19369   2.20278   2.21854
 Alpha virt. eigenvalues --    2.22565   2.23466   2.23774   2.23953   2.25590
 Alpha virt. eigenvalues --    2.26365   2.27324   2.28985   2.30256   2.30282
 Alpha virt. eigenvalues --    2.30563   2.33170   2.34764   2.35795   2.36722
 Alpha virt. eigenvalues --    2.38346   2.38788   2.39678   2.41650   2.42394
 Alpha virt. eigenvalues --    2.42986   2.43039   2.44251   2.45320   2.46032
 Alpha virt. eigenvalues --    2.46947   2.46983   2.49577   2.51138   2.51935
 Alpha virt. eigenvalues --    2.52133   2.53098   2.53732   2.55293   2.56817
 Alpha virt. eigenvalues --    2.57287   2.57574   2.59839   2.60188   2.61108
 Alpha virt. eigenvalues --    2.61928   2.64254   2.64553   2.66090   2.66511
 Alpha virt. eigenvalues --    2.67954   2.69844   2.71913   2.72061   2.72218
 Alpha virt. eigenvalues --    2.74653   2.75527   2.78266   2.79347   2.80050
 Alpha virt. eigenvalues --    2.80833   2.81589   2.81910   2.82567   2.87353
 Alpha virt. eigenvalues --    2.87521   2.88429   2.89430   2.90030   2.92027
 Alpha virt. eigenvalues --    2.92153   2.93922   2.96051   3.00306   3.01119
 Alpha virt. eigenvalues --    3.03276   3.06499   3.06562   3.11002   3.11781
 Alpha virt. eigenvalues --    3.13409   3.14378   3.14513   3.16817   3.17785
 Alpha virt. eigenvalues --    3.19182   3.19783   3.20251   3.21884   3.22621
 Alpha virt. eigenvalues --    3.25767   3.32208   3.36268   3.39954   3.42215
 Alpha virt. eigenvalues --    3.49819   3.55940   3.57726   3.59219   3.63685
 Alpha virt. eigenvalues --    3.64445   5.57284   5.58528   5.60414   5.61812
 Alpha virt. eigenvalues --    5.62442   5.67558   5.68368
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  Ni  28.105946   0.087116  -0.009934  -0.009934   0.087116  -0.073841
     2  N    0.087116   6.897073  -0.175085  -0.003648  -0.060072   0.546833
     3  N   -0.009934  -0.175085   8.428935   0.067253  -0.003648  -0.034363
     4  N   -0.009934  -0.003648   0.067253   8.428935  -0.175085  -0.005716
     5  N    0.087116  -0.060072  -0.003648  -0.175085   6.897073   0.044510
     6  C   -0.073841   0.546833  -0.034363  -0.005716   0.044510   6.788735
     7  H    0.056381   0.054125   0.007782   0.001927  -0.007509  -0.347047
     8  C   -0.041988  -0.096732   0.020739   0.000593   0.003703  -1.112670
     9  H    0.004949   0.007092  -0.001037  -0.000022   0.000252   0.135467
    10  C    0.039297  -0.266898   0.104593  -0.000350   0.003960   0.367622
    11  H    0.005474  -0.069967   0.006527   0.000090  -0.000125   0.004675
    12  C   -0.024425   0.022096  -0.180690  -0.062368   0.024954  -0.941372
    13  C   -0.112064   0.119948  -0.175659   0.086579  -0.020839  -0.035376
    14  H    0.029831   0.134898  -0.433065  -0.013527   0.001013   0.035306
    15  C   -0.172601  -0.021955  -0.282250  -0.023486  -0.002059  -0.002212
    16  H    0.092107   0.001684  -0.168605  -0.114105  -0.000045  -0.000822
    17  C   -0.042225  -0.003327   0.029263   0.007071   0.000166  -0.000041
    18  H    0.001740  -0.000884   0.035527   0.000427  -0.000031  -0.000025
    19  H   -0.003119   0.000378  -0.094292  -0.009474   0.000019   0.000054
    20  C   -0.000578   0.000146   0.028090   0.024531   0.000040  -0.000003
    21  H    0.000067   0.000008  -0.003319   0.003815  -0.000003  -0.000001
    22  H   -0.000560  -0.000004  -0.002497  -0.000559  -0.000000  -0.000000
    23  C   -0.000578   0.000040   0.024531   0.028090   0.000146  -0.000006
    24  H   -0.000560  -0.000000  -0.000559  -0.002497  -0.000004  -0.000000
    25  H    0.000067  -0.000003   0.003815  -0.003319   0.000008  -0.000000
    26  C   -0.042225   0.000166   0.007071   0.029263  -0.003327   0.000046
    27  H   -0.003119   0.000019  -0.009474  -0.094292   0.000378   0.000002
    28  H    0.001740  -0.000031   0.000427   0.035527  -0.000884   0.000000
    29  C   -0.172601  -0.002059  -0.023486  -0.282250  -0.021955   0.000223
    30  H    0.092107  -0.000045  -0.114105  -0.168605   0.001684   0.000478
    31  C   -0.112064  -0.020839   0.086579  -0.175659   0.119948   0.000930
    32  H    0.029831   0.001013  -0.013527  -0.433065   0.134898  -0.000076
    33  C   -0.024425   0.024954  -0.062368  -0.180690   0.022096  -0.009249
    34  C    0.039297   0.003960  -0.000350   0.104593  -0.266898   0.000885
    35  H    0.005474  -0.000125   0.000090   0.006527  -0.069967  -0.000009
    36  C   -0.041988   0.003703   0.000593   0.020739  -0.096732   0.007877
    37  H    0.004949   0.000252  -0.000022  -0.001037   0.007092   0.000348
    38  C   -0.073841   0.044510  -0.005716  -0.034363   0.546833   0.028081
    39  H    0.056381  -0.007509   0.001927   0.007782   0.054125  -0.045984
               7          8          9         10         11         12
     1  Ni   0.056381  -0.041988   0.004949   0.039297   0.005474  -0.024425
     2  N    0.054125  -0.096732   0.007092  -0.266898  -0.069967   0.022096
     3  N    0.007782   0.020739  -0.001037   0.104593   0.006527  -0.180690
     4  N    0.001927   0.000593  -0.000022  -0.000350   0.000090  -0.062368
     5  N   -0.007509   0.003703   0.000252   0.003960  -0.000125   0.024954
     6  C   -0.347047  -1.112670   0.135467   0.367622   0.004675  -0.941372
     7  H    2.461755  -0.915082  -0.050303   0.101293   0.008562   0.214810
     8  C   -0.915082   8.031157   0.246701  -1.120921  -0.114623   0.874188
     9  H   -0.050303   0.246701   1.046123  -0.204310  -0.002943   0.007348
    10  C    0.101293  -1.120921  -0.204310   9.170268   0.563913  -1.179961
    11  H    0.008562  -0.114623  -0.002943   0.563913   1.060990   0.011399
    12  C    0.214810   0.874188   0.007348  -1.179961   0.011399   9.747841
    13  C    0.036585  -0.030511   0.026973  -1.076964  -0.181274  -2.310620
    14  H   -0.002206   0.008721   0.002938  -0.333141  -0.089046  -0.824089
    15  C   -0.000203  -0.003313   0.000005   0.014619   0.002414  -0.043657
    16  H   -0.000010   0.000249  -0.000002   0.000054   0.000035   0.025775
    17  C    0.000027   0.000158  -0.000011   0.000880   0.000285  -0.003763
    18  H    0.000003   0.000032  -0.000001   0.001023   0.000065   0.013427
    19  H   -0.000001  -0.000024   0.000000  -0.000375  -0.000022   0.002256
    20  C   -0.000000   0.000000   0.000000  -0.000024  -0.000003  -0.000397
    21  H   -0.000000   0.000000   0.000000  -0.000006  -0.000000  -0.000369
    22  H    0.000000   0.000000   0.000000  -0.000001  -0.000000   0.000071
    23  C   -0.000001  -0.000001   0.000000  -0.000008  -0.000001   0.000330
    24  H   -0.000000   0.000000   0.000000  -0.000000  -0.000000   0.000002
    25  H   -0.000000   0.000000   0.000000  -0.000001  -0.000000  -0.000026
    26  C    0.000009   0.000002  -0.000000   0.000009   0.000002  -0.001055
    27  H    0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000143
    28  H    0.000000   0.000000  -0.000000  -0.000000   0.000000  -0.000036
    29  C   -0.000296  -0.000599   0.000013  -0.001696  -0.000074   0.023130
    30  H    0.000024  -0.000013  -0.000000   0.000103   0.000004   0.004668
    31  C    0.003503   0.000076  -0.000003  -0.000199  -0.000006  -0.002625
    32  H   -0.000021  -0.000004   0.000000   0.000015  -0.000000   0.001344
    33  C    0.009459  -0.000992  -0.000031   0.000022   0.000010   0.007193
    34  C    0.000566  -0.000033   0.000003   0.000074  -0.000001   0.000022
    35  H    0.000008   0.000000  -0.000000  -0.000001   0.000000   0.000010
    36  C   -0.016687   0.000032   0.000014  -0.000033   0.000000  -0.000992
    37  H   -0.000995   0.000014   0.000001   0.000003  -0.000000  -0.000031
    38  C   -0.045984   0.007877   0.000348   0.000885  -0.000009  -0.009249
    39  H    0.103809  -0.016687  -0.000995   0.000566   0.000008   0.009459
              13         14         15         16         17         18
     1  Ni  -0.112064   0.029831  -0.172601   0.092107  -0.042225   0.001740
     2  N    0.119948   0.134898  -0.021955   0.001684  -0.003327  -0.000884
     3  N   -0.175659  -0.433065  -0.282250  -0.168605   0.029263   0.035527
     4  N    0.086579  -0.013527  -0.023486  -0.114105   0.007071   0.000427
     5  N   -0.020839   0.001013  -0.002059  -0.000045   0.000166  -0.000031
     6  C   -0.035376   0.035306  -0.002212  -0.000822  -0.000041  -0.000025
     7  H    0.036585  -0.002206  -0.000203  -0.000010   0.000027   0.000003
     8  C   -0.030511   0.008721  -0.003313   0.000249   0.000158   0.000032
     9  H    0.026973   0.002938   0.000005  -0.000002  -0.000011  -0.000001
    10  C   -1.076964  -0.333141   0.014619   0.000054   0.000880   0.001023
    11  H   -0.181274  -0.089046   0.002414   0.000035   0.000285   0.000065
    12  C   -2.310620  -0.824089  -0.043657   0.025775  -0.003763   0.013427
    13  C    9.857976   0.465962  -0.476340  -0.063428  -0.001948  -0.067669
    14  H    0.465962   2.625596  -0.325513  -0.011066  -0.069034  -0.056776
    15  C   -0.476340  -0.325513   8.049938  -0.333402   0.029594  -0.050786
    16  H   -0.063428  -0.011066  -0.333402   2.004631  -0.194559   0.059887
    17  C   -0.001948  -0.069034   0.029594  -0.194559   5.057652   0.108028
    18  H   -0.067669  -0.056776  -0.050786   0.059887   0.108028   1.576734
    19  H    0.018356   0.004121   0.331818  -0.010398   0.079604  -0.221829
    20  C    0.018699   0.004957  -0.043622  -0.039018   0.345270  -0.099738
    21  H    0.002613   0.001229   0.006711  -0.049295   0.041877  -0.030624
    22  H   -0.002875  -0.001674   0.048829   0.006075   0.147468  -0.006934
    23  C    0.006572   0.001850  -0.142226  -0.064840  -0.049917   0.014262
    24  H   -0.000146  -0.000047   0.033722   0.004858  -0.005462  -0.004616
    25  H    0.000926   0.000140  -0.053628  -0.009022  -0.003042  -0.000087
    26  C    0.004760   0.000404  -0.021264  -0.152862   0.019506   0.017775
    27  H   -0.000929  -0.000088  -0.048020   0.010773  -0.016495  -0.002957
    28  H   -0.001512  -0.000072   0.106466   0.005888   0.017775  -0.000587
    29  C    0.000246   0.012926  -0.528536   0.120569  -0.021264   0.106466
    30  H   -0.007647  -0.002662   0.120569   0.164785  -0.152862   0.005888
    31  C    0.014468   0.002613   0.000246  -0.007647   0.004760  -0.001512
    32  H    0.002613   0.000173   0.012926  -0.002662   0.000404  -0.000072
    33  C   -0.002625   0.001344   0.023130   0.004668  -0.001055  -0.000036
    34  C   -0.000199   0.000015  -0.001696   0.000103   0.000009  -0.000000
    35  H   -0.000006  -0.000000  -0.000074   0.000004   0.000002   0.000000
    36  C    0.000076  -0.000004  -0.000599  -0.000013   0.000002   0.000000
    37  H   -0.000003   0.000000   0.000013  -0.000000  -0.000000  -0.000000
    38  C    0.000930  -0.000076   0.000223   0.000478   0.000046   0.000000
    39  H    0.003503  -0.000021  -0.000296   0.000024   0.000009   0.000000
              19         20         21         22         23         24
     1  Ni  -0.003119  -0.000578   0.000067  -0.000560  -0.000578  -0.000560
     2  N    0.000378   0.000146   0.000008  -0.000004   0.000040  -0.000000
     3  N   -0.094292   0.028090  -0.003319  -0.002497   0.024531  -0.000559
     4  N   -0.009474   0.024531   0.003815  -0.000559   0.028090  -0.002497
     5  N    0.000019   0.000040  -0.000003  -0.000000   0.000146  -0.000004
     6  C    0.000054  -0.000003  -0.000001  -0.000000  -0.000006  -0.000000
     7  H   -0.000001  -0.000000  -0.000000   0.000000  -0.000001  -0.000000
     8  C   -0.000024   0.000000   0.000000   0.000000  -0.000001   0.000000
     9  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
    10  C   -0.000375  -0.000024  -0.000006  -0.000001  -0.000008  -0.000000
    11  H   -0.000022  -0.000003  -0.000000  -0.000000  -0.000001  -0.000000
    12  C    0.002256  -0.000397  -0.000369   0.000071   0.000330   0.000002
    13  C    0.018356   0.018699   0.002613  -0.002875   0.006572  -0.000146
    14  H    0.004121   0.004957   0.001229  -0.001674   0.001850  -0.000047
    15  C    0.331818  -0.043622   0.006711   0.048829  -0.142226   0.033722
    16  H   -0.010398  -0.039018  -0.049295   0.006075  -0.064840   0.004858
    17  C    0.079604   0.345270   0.041877   0.147468  -0.049917  -0.005462
    18  H   -0.221829  -0.099738  -0.030624  -0.006934   0.014262  -0.004616
    19  H    0.948535  -0.019169  -0.001279   0.023153  -0.020088  -0.002981
    20  C   -0.019169   4.586759   0.289712   0.074627   0.409849   0.034409
    21  H   -0.001279   0.289712   0.738956  -0.135503   0.044192  -0.039212
    22  H    0.023153   0.074627  -0.135503   1.189777   0.034409   0.035426
    23  C   -0.020088   0.409849   0.044192   0.034409   4.586759   0.074627
    24  H   -0.002981   0.034409  -0.039212   0.035426   0.074627   1.189777
    25  H   -0.003342   0.044192   0.005365  -0.039212   0.289712  -0.135503
    26  C   -0.016495  -0.049917  -0.003042  -0.005462   0.345270   0.147468
    27  H    0.001745  -0.020088  -0.003342  -0.002981  -0.019169   0.023153
    28  H   -0.002957   0.014262  -0.000087  -0.004616  -0.099738  -0.006934
    29  C   -0.048020  -0.142226  -0.053628   0.033722  -0.043622   0.048829
    30  H    0.010773  -0.064840  -0.009022   0.004858  -0.039018   0.006075
    31  C   -0.000929   0.006572   0.000926  -0.000146   0.018699  -0.002875
    32  H   -0.000088   0.001850   0.000140  -0.000047   0.004957  -0.001674
    33  C    0.000143   0.000330  -0.000026   0.000002  -0.000397   0.000071
    34  C    0.000000  -0.000008  -0.000001  -0.000000  -0.000024  -0.000001
    35  H    0.000000  -0.000001  -0.000000  -0.000000  -0.000003  -0.000000
    36  C   -0.000000  -0.000001   0.000000   0.000000   0.000000   0.000000
    37  H   -0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
    38  C    0.000002  -0.000006  -0.000000  -0.000000  -0.000003  -0.000000
    39  H    0.000000  -0.000001  -0.000000  -0.000000  -0.000000   0.000000
              25         26         27         28         29         30
     1  Ni   0.000067  -0.042225  -0.003119   0.001740  -0.172601   0.092107
     2  N   -0.000003   0.000166   0.000019  -0.000031  -0.002059  -0.000045
     3  N    0.003815   0.007071  -0.009474   0.000427  -0.023486  -0.114105
     4  N   -0.003319   0.029263  -0.094292   0.035527  -0.282250  -0.168605
     5  N    0.000008  -0.003327   0.000378  -0.000884  -0.021955   0.001684
     6  C   -0.000000   0.000046   0.000002   0.000000   0.000223   0.000478
     7  H   -0.000000   0.000009   0.000000   0.000000  -0.000296   0.000024
     8  C    0.000000   0.000002  -0.000000   0.000000  -0.000599  -0.000013
     9  H    0.000000  -0.000000  -0.000000  -0.000000   0.000013  -0.000000
    10  C   -0.000001   0.000009   0.000000  -0.000000  -0.001696   0.000103
    11  H   -0.000000   0.000002   0.000000   0.000000  -0.000074   0.000004
    12  C   -0.000026  -0.001055   0.000143  -0.000036   0.023130   0.004668
    13  C    0.000926   0.004760  -0.000929  -0.001512   0.000246  -0.007647
    14  H    0.000140   0.000404  -0.000088  -0.000072   0.012926  -0.002662
    15  C   -0.053628  -0.021264  -0.048020   0.106466  -0.528536   0.120569
    16  H   -0.009022  -0.152862   0.010773   0.005888   0.120569   0.164785
    17  C   -0.003042   0.019506  -0.016495   0.017775  -0.021264  -0.152862
    18  H   -0.000087   0.017775  -0.002957  -0.000587   0.106466   0.005888
    19  H   -0.003342  -0.016495   0.001745  -0.002957  -0.048020   0.010773
    20  C    0.044192  -0.049917  -0.020088   0.014262  -0.142226  -0.064840
    21  H    0.005365  -0.003042  -0.003342  -0.000087  -0.053628  -0.009022
    22  H   -0.039212  -0.005462  -0.002981  -0.004616   0.033722   0.004858
    23  C    0.289712   0.345270  -0.019169  -0.099738  -0.043622  -0.039018
    24  H   -0.135503   0.147468   0.023153  -0.006934   0.048829   0.006075
    25  H    0.738956   0.041877  -0.001279  -0.030624   0.006711  -0.049295
    26  C    0.041877   5.057652   0.079604   0.108028   0.029594  -0.194559
    27  H   -0.001279   0.079604   0.948535  -0.221829   0.331818  -0.010398
    28  H   -0.030624   0.108028  -0.221829   1.576734  -0.050786   0.059887
    29  C    0.006711   0.029594   0.331818  -0.050786   8.049938  -0.333402
    30  H   -0.049295  -0.194559  -0.010398   0.059887  -0.333402   2.004631
    31  C    0.002613  -0.001948   0.018356  -0.067669  -0.476340  -0.063428
    32  H    0.001229  -0.069034   0.004121  -0.056776  -0.325513  -0.011066
    33  C   -0.000369  -0.003763   0.002256   0.013427  -0.043657   0.025775
    34  C   -0.000006   0.000880  -0.000375   0.001023   0.014619   0.000054
    35  H   -0.000000   0.000285  -0.000022   0.000065   0.002414   0.000035
    36  C    0.000000   0.000158  -0.000024   0.000032  -0.003313   0.000249
    37  H    0.000000  -0.000011   0.000000  -0.000001   0.000005  -0.000002
    38  C   -0.000001  -0.000041   0.000054  -0.000025  -0.002212  -0.000822
    39  H   -0.000000   0.000027  -0.000001   0.000003  -0.000203  -0.000010
              31         32         33         34         35         36
     1  Ni  -0.112064   0.029831  -0.024425   0.039297   0.005474  -0.041988
     2  N   -0.020839   0.001013   0.024954   0.003960  -0.000125   0.003703
     3  N    0.086579  -0.013527  -0.062368  -0.000350   0.000090   0.000593
     4  N   -0.175659  -0.433065  -0.180690   0.104593   0.006527   0.020739
     5  N    0.119948   0.134898   0.022096  -0.266898  -0.069967  -0.096732
     6  C    0.000930  -0.000076  -0.009249   0.000885  -0.000009   0.007877
     7  H    0.003503  -0.000021   0.009459   0.000566   0.000008  -0.016687
     8  C    0.000076  -0.000004  -0.000992  -0.000033   0.000000   0.000032
     9  H   -0.000003   0.000000  -0.000031   0.000003  -0.000000   0.000014
    10  C   -0.000199   0.000015   0.000022   0.000074  -0.000001  -0.000033
    11  H   -0.000006  -0.000000   0.000010  -0.000001   0.000000   0.000000
    12  C   -0.002625   0.001344   0.007193   0.000022   0.000010  -0.000992
    13  C    0.014468   0.002613  -0.002625  -0.000199  -0.000006   0.000076
    14  H    0.002613   0.000173   0.001344   0.000015  -0.000000  -0.000004
    15  C    0.000246   0.012926   0.023130  -0.001696  -0.000074  -0.000599
    16  H   -0.007647  -0.002662   0.004668   0.000103   0.000004  -0.000013
    17  C    0.004760   0.000404  -0.001055   0.000009   0.000002   0.000002
    18  H   -0.001512  -0.000072  -0.000036  -0.000000   0.000000   0.000000
    19  H   -0.000929  -0.000088   0.000143   0.000000   0.000000  -0.000000
    20  C    0.006572   0.001850   0.000330  -0.000008  -0.000001  -0.000001
    21  H    0.000926   0.000140  -0.000026  -0.000001  -0.000000   0.000000
    22  H   -0.000146  -0.000047   0.000002  -0.000000  -0.000000   0.000000
    23  C    0.018699   0.004957  -0.000397  -0.000024  -0.000003   0.000000
    24  H   -0.002875  -0.001674   0.000071  -0.000001  -0.000000   0.000000
    25  H    0.002613   0.001229  -0.000369  -0.000006  -0.000000   0.000000
    26  C   -0.001948  -0.069034  -0.003763   0.000880   0.000285   0.000158
    27  H    0.018356   0.004121   0.002256  -0.000375  -0.000022  -0.000024
    28  H   -0.067669  -0.056776   0.013427   0.001023   0.000065   0.000032
    29  C   -0.476340  -0.325513  -0.043657   0.014619   0.002414  -0.003313
    30  H   -0.063428  -0.011066   0.025775   0.000054   0.000035   0.000249
    31  C    9.857976   0.465962  -2.310620  -1.076964  -0.181274  -0.030511
    32  H    0.465962   2.625596  -0.824089  -0.333141  -0.089046   0.008721
    33  C   -2.310620  -0.824089   9.747841  -1.179961   0.011399   0.874188
    34  C   -1.076964  -0.333141  -1.179961   9.170268   0.563913  -1.120921
    35  H   -0.181274  -0.089046   0.011399   0.563913   1.060990  -0.114623
    36  C   -0.030511   0.008721   0.874188  -1.120921  -0.114623   8.031157
    37  H    0.026973   0.002938   0.007348  -0.204310  -0.002943   0.246701
    38  C   -0.035376   0.035306  -0.941372   0.367622   0.004675  -1.112670
    39  H    0.036585  -0.002206   0.214810   0.101293   0.008562  -0.915082
              37         38         39
     1  Ni   0.004949  -0.073841   0.056381
     2  N    0.000252   0.044510  -0.007509
     3  N   -0.000022  -0.005716   0.001927
     4  N   -0.001037  -0.034363   0.007782
     5  N    0.007092   0.546833   0.054125
     6  C    0.000348   0.028081  -0.045984
     7  H   -0.000995  -0.045984   0.103809
     8  C    0.000014   0.007877  -0.016687
     9  H    0.000001   0.000348  -0.000995
    10  C    0.000003   0.000885   0.000566
    11  H   -0.000000  -0.000009   0.000008
    12  C   -0.000031  -0.009249   0.009459
    13  C   -0.000003   0.000930   0.003503
    14  H    0.000000  -0.000076  -0.000021
    15  C    0.000013   0.000223  -0.000296
    16  H   -0.000000   0.000478   0.000024
    17  C   -0.000000   0.000046   0.000009
    18  H   -0.000000   0.000000   0.000000
    19  H   -0.000000   0.000002   0.000000
    20  C    0.000000  -0.000006  -0.000001
    21  H    0.000000  -0.000000  -0.000000
    22  H    0.000000  -0.000000  -0.000000
    23  C    0.000000  -0.000003  -0.000000
    24  H    0.000000  -0.000000   0.000000
    25  H    0.000000  -0.000001  -0.000000
    26  C   -0.000011  -0.000041   0.000027
    27  H    0.000000   0.000054  -0.000001
    28  H   -0.000001  -0.000025   0.000003
    29  C    0.000005  -0.002212  -0.000203
    30  H   -0.000002  -0.000822  -0.000010
    31  C    0.026973  -0.035376   0.036585
    32  H    0.002938   0.035306  -0.002206
    33  C    0.007348  -0.941372   0.214810
    34  C   -0.204310   0.367622   0.101293
    35  H   -0.002943   0.004675   0.008562
    36  C    0.246701  -1.112670  -0.915082
    37  H    1.046123   0.135467  -0.050303
    38  C    0.135467   6.788735  -0.347047
    39  H   -0.050303  -0.347047   2.461755
 Mulliken charges:
               1
     1  Ni   0.222799
     2  N   -0.220830
     3  N   -0.059692
     4  N   -0.059692
     5  N   -0.220830
     6  C    0.646742
     7  H   -0.674283
     8  C    0.259952
     9  H   -0.218570
    10  C   -0.184310
    11  H   -0.206359
    12  C    0.595260
    13  C   -0.099151
    14  H   -0.171929
    15  C   -0.203485
    16  H   -0.280849
    17  C    0.675151
    18  H   -0.396118
    19  H    0.033927
    20  C    0.595343
    21  H    0.193148
    22  H   -0.395346
    23  C    0.595343
    24  H   -0.395346
    25  H    0.193148
    26  C    0.675151
    27  H    0.033927
    28  H   -0.396118
    29  C   -0.203485
    30  H   -0.280849
    31  C   -0.099151
    32  H   -0.171929
    33  C    0.595260
    34  C   -0.184310
    35  H   -0.206359
    36  C    0.259952
    37  H   -0.218570
    38  C    0.646742
    39  H   -0.674283
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Ni   0.222799
     2  N   -0.220830
     3  N   -0.059692
     4  N   -0.059692
     5  N   -0.220830
     6  C   -0.027542
     8  C    0.041381
    10  C   -0.390669
    12  C    0.595260
    13  C   -0.271080
    15  C   -0.484333
    17  C    0.312960
    20  C    0.393146
    23  C    0.393146
    26  C    0.312960
    29  C   -0.484333
    31  C   -0.271080
    33  C    0.595260
    34  C   -0.390669
    36  C    0.041381
    38  C   -0.027542
 Electronic spatial extent (au):  <R**2>=           6523.8698
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=             -0.0000    Z=             -5.6223  Tot=              5.6223
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -136.5077   YY=           -127.6115   ZZ=           -120.7692
   XY=              0.8454   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.2115   YY=              0.6846   ZZ=              7.5269
   XY=              0.8454   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             -1.0710  XYY=              0.0000
  XXY=              0.0000  XXZ=            -13.1865  XZZ=             -0.0000  YZZ=              0.0000
  YYZ=            -26.0150  XYZ=             -2.2598
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -221.7044 YYYY=          -3620.4118 ZZZZ=          -4890.0080 XXXY=             83.8289
 XXXZ=             -0.0000 YYYX=             66.5337 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=           -737.8457 XXZZ=           -928.8510 YYZZ=          -1482.7564
 XXYZ=             -0.0000 YYXZ=              0.0000 ZZXY=             13.7327
 N-N= 2.160758744516D+03 E-N=-9.866194344721D+03  KE= 2.334892207669D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep  6 14:32:35 2021, MaxMem=  8589934592 cpu:               7.2 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 5.94251399D-15 1.49358537D-13-2.19508104D+00
 Polarizability= 1.33441883D+02-8.65866184D+00 2.96385123D+02
                 1.57723984D-08 9.90178767D-07 3.31180958D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000   -0.0000       -5.8504   -5.8468
 2      0.0000    0.0000       -0.0000   -0.0000      107.7544  107.7800
 3      5.8504    5.8468     -121.0311 -121.0298        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        5.8476    5.8468
 5     13.2766   13.2498       -5.8476   -5.8468        0.0000   -0.0000
 6     -0.0000   -0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000      -17.5403  -17.5403
 2      0.0000    0.0000       -0.0000    0.0000      -17.5403  -17.5403
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000   -0.0000      323.3400  323.3400
 5     17.5403   17.5403     -363.0893 -363.0893        0.0000    0.0000
 6     39.7493   39.7493      -17.5403  -17.5403        0.0000   -0.0000
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       23.1152   23.3870
 2     -0.0000   -0.0000        0.0000    0.0000     -431.2164 -431.1200
 3    -23.5558  -23.3870      483.6806  484.1191        0.0000   -0.0000
 4     -0.0000   -0.0000        0.0000    0.0000      -19.4768  -23.3870
 5    -52.2386  -52.9991       22.5352   23.3870       -0.0000    0.0000
 6      0.0000    0.0000        0.0000   -0.0000        1.2725    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000      434.2266  433.3118
 2      0.0000   -0.0000       -0.0000   -0.0000      289.5492  334.5545
 3   -436.0362 -433.3118      178.1239  166.2358       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000     -464.8012 -433.3118
 5   -526.6233 -500.7903      540.3915  433.3118        0.0000    0.0000
 6      0.0000   -0.0000        0.0000   -0.0000     -114.1987    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000     -779.1873 -779.3755
 2      0.0000    0.0000       -0.0000    0.0000     -779.9999 -779.3755
 3     -0.0000    0.0000        0.0000    0.0000     -499.5028 -501.4743
 4     -0.0000    0.0000        0.0000   -0.0000       -9.5138  -13.5626
 5    279.0646  277.9013     -114.4540 -111.3623        0.0000    0.0000
 6    124.9701  124.9249     -275.7193 -277.9013        0.0000   -0.0000
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.4568    0.0068    0.0070    0.0075    0.5431    5.1019
 Low frequencies ---   48.9603   55.8029   70.3860
 Diagonal vibrational polarizability:
       28.4089659      15.0434278      27.8453606
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      B                      A                      B
 Frequencies --     48.9601                55.8029                70.3859
 Red. masses --      6.0008                 3.6632                 4.0167
 Frc consts  --      0.0085                 0.0067                 0.0117
 IR Inten    --      1.2377                 0.1008                 0.0909
 RamAct Fr= 1--      2.4928                 1.2183                 8.0287
  Dep-P Fr= 1--      0.7500                 0.6122                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7595                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0031                 0.0000
 Beta2  Fr= 1--      0.3561                 0.1542                 1.1470
 AlphaG Fr= 1--     -0.0000                -1.5854                -0.0000
 Gamma2 Fr= 1--    -33.3479                29.1990                 5.9782
 Delta2 Fr= 1--     -2.1290                 2.9659                 1.0190
 Raman1 Fr= 1--       9.971                  4.873                 32.115
 ROA1   Fr= 1--   -3269.525               2898.008                606.511
 CID1   Fr= 1--    -327.891                594.687                 18.886
 Raman2 Fr= 1--       4.273                  1.851                 13.763
 ROA2   Fr= 1--    -783.317                677.048                135.324
 CID2   Fr= 1--    -183.299                365.863                  9.832
 Raman3 Fr= 1--       8.547                  3.701                 27.527
 ROA3   Fr= 1--   -3269.525               2898.008                606.511
 CID3   Fr= 1--    -382.539                783.014                 22.033
 RC180  Fr= 1--       0.714                  0.519                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.18   0.00  -0.00     0.00   0.00   0.01    -0.03  -0.00  -0.00
     2   7     0.09   0.00  -0.00    -0.01   0.00  -0.00    -0.06  -0.00  -0.00
     3   7     0.13  -0.00   0.00     0.09  -0.00   0.01     0.09  -0.00  -0.00
     4   7     0.13  -0.00  -0.00    -0.09   0.00   0.01     0.09  -0.00   0.00
     5   7     0.09   0.00   0.00     0.01  -0.00  -0.00    -0.06  -0.00   0.00
     6   6     0.00  -0.00  -0.01    -0.14   0.00  -0.01    -0.17  -0.00  -0.01
     7   1     0.07  -0.00  -0.01    -0.22   0.00  -0.01    -0.31  -0.01  -0.02
     8   6    -0.19  -0.01  -0.02    -0.17   0.00  -0.02    -0.07   0.00  -0.01
     9   1    -0.29  -0.02  -0.03    -0.26   0.00  -0.03    -0.12   0.00  -0.02
    10   6    -0.22  -0.01  -0.02    -0.05   0.00  -0.01     0.11   0.00  -0.00
    11   1    -0.36  -0.02  -0.03    -0.03   0.00  -0.02     0.23   0.01  -0.00
    12   6    -0.04  -0.01  -0.01     0.05   0.00  -0.00     0.11   0.00   0.00
    13   6    -0.03  -0.00  -0.01     0.11  -0.00  -0.00     0.18  -0.00   0.01
    14   1    -0.16  -0.00  -0.02     0.14  -0.01  -0.00     0.28  -0.00   0.01
    15   6     0.05   0.01  -0.02     0.07  -0.03   0.01     0.06   0.00  -0.01
    16   1     0.05   0.01  -0.08     0.05  -0.14   0.04     0.06   0.01  -0.07
    17   6    -0.03   0.01   0.02     0.18   0.02   0.00    -0.03   0.00   0.02
    18   1    -0.03   0.01  -0.02     0.29  -0.04   0.01    -0.02  -0.00  -0.02
    19   1    -0.03   0.02   0.10     0.19   0.15  -0.01    -0.02   0.02   0.12
    20   6    -0.14   0.02  -0.02     0.09  -0.04   0.01    -0.15   0.01  -0.02
    21   1    -0.14   0.02  -0.11     0.09  -0.18   0.02    -0.16   0.01  -0.13
    22   1    -0.21   0.02   0.01     0.17   0.01   0.01    -0.23   0.01   0.02
    23   6    -0.14   0.02   0.02    -0.09   0.04   0.01    -0.15   0.01   0.02
    24   1    -0.21   0.02  -0.01    -0.17  -0.01   0.01    -0.23   0.01  -0.02
    25   1    -0.14   0.02   0.11    -0.09   0.18   0.02    -0.16   0.01   0.13
    26   6    -0.03   0.01  -0.02    -0.18  -0.02   0.00    -0.03   0.00  -0.02
    27   1    -0.03   0.02  -0.10    -0.19  -0.15  -0.01    -0.02   0.02  -0.12
    28   1    -0.03   0.01   0.02    -0.29   0.04   0.01    -0.02  -0.00   0.02
    29   6     0.05   0.01   0.02    -0.07   0.03   0.01     0.06   0.00   0.01
    30   1     0.05   0.01   0.08    -0.05   0.14   0.04     0.06   0.01   0.07
    31   6    -0.03  -0.00   0.01    -0.11   0.00  -0.00     0.18  -0.00  -0.01
    32   1    -0.16  -0.00   0.02    -0.14   0.01  -0.00     0.28  -0.00  -0.01
    33   6    -0.04  -0.01   0.01    -0.05  -0.00  -0.00     0.11   0.00  -0.00
    34   6    -0.22  -0.01   0.02     0.05  -0.00  -0.01     0.11   0.00   0.00
    35   1    -0.36  -0.02   0.03     0.03  -0.00  -0.02     0.23   0.01   0.00
    36   6    -0.19  -0.01   0.02     0.17  -0.00  -0.02    -0.07   0.00   0.01
    37   1    -0.29  -0.02   0.03     0.26  -0.00  -0.03    -0.12   0.00   0.02
    38   6     0.00  -0.00   0.01     0.14  -0.00  -0.01    -0.17  -0.00   0.01
    39   1     0.07  -0.00   0.01     0.22  -0.00  -0.01    -0.31  -0.01   0.02
                      4                      5                      6
                      A                      A                      B
 Frequencies --     97.7355               124.9903               151.4999
 Red. masses --      3.4163                 5.2791                 4.4281
 Frc consts  --      0.0192                 0.0486                 0.0599
 IR Inten    --      0.2293                 0.0203                 1.2556
 RamAct Fr= 1--     22.6826              1751.2839                 1.1970
  Dep-P Fr= 1--      0.3772                 0.2997                 0.7500
  Dep-U Fr= 1--      0.5478                 0.4612                 0.8571
 Alpha2 Fr= 1--      0.1819                17.9770                 0.0000
 Beta2  Fr= 1--      2.0709               134.6167                 0.1710
 AlphaG Fr= 1--    -27.4038             -1708.4802                -0.0000
 Gamma2 Fr= 1--     96.5983             -1551.7001               -26.6911
 Delta2 Fr= 1--      6.5232               106.1010                 0.4593
 Raman1 Fr= 1--      90.730               7005.136                  4.788
 ROA1   Fr= 1--    9482.175            -145567.978              -2547.649
 CID1   Fr= 1--     104.509                -20.780               -532.085
 Raman2 Fr= 1--      24.851               1615.400                  2.052
 ROA2   Fr= 1--    2266.173             -38089.610               -644.262
 CID2   Fr= 1--      91.192                -23.579               -313.964
 Raman3 Fr= 1--      49.701               3230.800                  4.104
 ROA3   Fr= 1--    9482.175            -145567.978              -2547.649
 CID3   Fr= 1--     190.784                -45.056               -620.765
 RC180  Fr= 1--       0.096                 -0.078                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.02     0.00   0.00   0.07     0.02   0.04   0.00
     2   7     0.03   0.02   0.00    -0.00   0.11   0.03     0.13   0.01   0.02
     3   7     0.00  -0.01   0.01     0.01  -0.02   0.03    -0.08   0.06  -0.01
     4   7    -0.00   0.01   0.01    -0.01   0.02   0.03    -0.08   0.06   0.01
     5   7    -0.03  -0.02   0.00     0.00  -0.11   0.03     0.13   0.01  -0.02
     6   6     0.15   0.05   0.01    -0.04   0.21  -0.00    -0.04  -0.04   0.02
     7   1     0.29   0.07   0.03    -0.06   0.27   0.05    -0.08  -0.07  -0.01
     8   6     0.07   0.05  -0.02    -0.03   0.23  -0.10    -0.12  -0.05   0.06
     9   1     0.14   0.07  -0.02    -0.05   0.29  -0.15    -0.25  -0.08   0.07
    10   6    -0.10   0.02  -0.04     0.02   0.13  -0.14     0.00  -0.00   0.08
    11   1    -0.19   0.01  -0.06     0.03   0.11  -0.22    -0.03   0.01   0.11
    12   6    -0.12   0.01  -0.02     0.03   0.06  -0.05     0.15   0.03   0.05
    13   6    -0.12  -0.01  -0.02     0.03  -0.00  -0.03     0.06   0.06   0.03
    14   1    -0.20  -0.01  -0.03     0.04  -0.04  -0.06     0.09   0.07   0.05
    15   6     0.03  -0.02   0.02    -0.01  -0.00   0.02    -0.11   0.03  -0.02
    16   1     0.03  -0.07   0.07    -0.01   0.02  -0.01    -0.11   0.02  -0.02
    17   6     0.14   0.01   0.00    -0.07  -0.01   0.04    -0.09  -0.06  -0.09
    18   1     0.25  -0.03   0.01    -0.12   0.02   0.04    -0.15  -0.03  -0.12
    19   1     0.16   0.13  -0.03    -0.08  -0.06   0.07    -0.10  -0.13  -0.19
    20   6     0.09  -0.04   0.02    -0.05   0.02   0.03     0.08  -0.13  -0.00
    21   1     0.09  -0.18   0.05    -0.05   0.10   0.01     0.09  -0.13   0.15
    22   1     0.18   0.01   0.00    -0.11  -0.00   0.04     0.20  -0.18  -0.08
    23   6    -0.09   0.04   0.02     0.05  -0.02   0.03     0.08  -0.13   0.00
    24   1    -0.18  -0.01   0.00     0.11   0.00   0.04     0.20  -0.18   0.08
    25   1    -0.09   0.18   0.05     0.05  -0.10   0.01     0.09  -0.13  -0.15
    26   6    -0.14  -0.01   0.00     0.07   0.01   0.04    -0.09  -0.06   0.09
    27   1    -0.16  -0.13  -0.03     0.08   0.06   0.07    -0.10  -0.13   0.19
    28   1    -0.25   0.03   0.01     0.12  -0.02   0.04    -0.15  -0.03   0.12
    29   6    -0.03   0.02   0.02     0.01   0.00   0.02    -0.11   0.03   0.02
    30   1    -0.03   0.07   0.07     0.01  -0.02  -0.01    -0.11   0.02   0.02
    31   6     0.12   0.01  -0.02    -0.03   0.00  -0.03     0.06   0.06  -0.03
    32   1     0.20   0.01  -0.03    -0.04   0.04  -0.06     0.09   0.07  -0.05
    33   6     0.12  -0.01  -0.02    -0.03  -0.06  -0.05     0.15   0.03  -0.05
    34   6     0.10  -0.02  -0.04    -0.02  -0.13  -0.14     0.00  -0.00  -0.08
    35   1     0.19  -0.01  -0.06    -0.03  -0.11  -0.22    -0.03   0.01  -0.11
    36   6    -0.07  -0.05  -0.02     0.03  -0.23  -0.10    -0.12  -0.05  -0.06
    37   1    -0.14  -0.07  -0.02     0.05  -0.29  -0.15    -0.25  -0.08  -0.07
    38   6    -0.15  -0.05   0.01     0.04  -0.21  -0.00    -0.04  -0.04  -0.02
    39   1    -0.29  -0.07   0.03     0.06  -0.27   0.05    -0.08  -0.07   0.01
                      7                      8                      9
                      A                      B                      B
 Frequencies --    153.4444               166.3691               213.9594
 Red. masses --      5.1229                 4.2609                 3.5944
 Frc consts  --      0.0711                 0.0695                 0.0969
 IR Inten    --      0.2152                 0.9646                 0.1998
 RamAct Fr= 1--     52.4797                 0.2814                 5.8650
  Dep-P Fr= 1--      0.3060                 0.7500                 0.7500
  Dep-U Fr= 1--      0.4686                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.5286                 0.0000                 0.0000
 Beta2  Fr= 1--      4.0988                 0.0402                 0.8379
 AlphaG Fr= 1--    -78.3006                -0.0000                -0.0000
 Gamma2 Fr= 1--   -190.0191               -11.2964              -443.4506
 Delta2 Fr= 1--      0.1921                 0.9130                -4.8593
 Raman1 Fr= 1--     209.919                  1.126                 23.460
 ROA1   Fr= 1--  -18235.689              -1055.240             -42726.756
 CID1   Fr= 1--     -86.870               -937.377              -1821.274
 Raman2 Fr= 1--      49.185                  0.482                 10.054
 ROA2   Fr= 1--   -4561.996               -278.418             -10603.941
 CID2   Fr= 1--     -92.751               -577.082              -1054.677
 Raman3 Fr= 1--      98.371                  0.965                 20.108
 ROA3   Fr= 1--  -18235.689              -1055.240             -42726.756
 CID3   Fr= 1--    -185.377              -1093.606              -2124.819
 RC180  Fr= 1--      -0.063                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.01  -0.05  -0.00     0.10   0.01   0.00
     2   7     0.27  -0.00   0.01     0.09  -0.01  -0.01    -0.14  -0.00  -0.01
     3   7     0.12  -0.00   0.00    -0.06  -0.07   0.01     0.10   0.01   0.00
     4   7    -0.12   0.00   0.00    -0.06  -0.07  -0.01     0.10   0.01  -0.00
     5   7    -0.27   0.00   0.01     0.09  -0.01   0.01    -0.14  -0.00   0.01
     6   6     0.15  -0.02   0.00    -0.02   0.04  -0.03    -0.08  -0.00  -0.00
     7   1     0.26  -0.01   0.01    -0.05   0.08   0.00    -0.13  -0.01  -0.00
     8   6    -0.12  -0.03  -0.00    -0.07   0.05  -0.08     0.06   0.00   0.01
     9   1    -0.25  -0.04  -0.01    -0.15   0.08  -0.11     0.13   0.00   0.01
    10   6    -0.15  -0.03  -0.00     0.01   0.00  -0.10     0.06   0.00   0.01
    11   1    -0.34  -0.03  -0.01    -0.00  -0.01  -0.14     0.15   0.01   0.02
    12   6     0.10  -0.01   0.00     0.10  -0.02  -0.04    -0.08  -0.00   0.00
    13   6     0.06  -0.00  -0.00     0.04  -0.06  -0.03    -0.04   0.00  -0.00
    14   1    -0.03  -0.00  -0.01     0.05  -0.09  -0.06    -0.12   0.01  -0.00
    15   6     0.02  -0.01  -0.01    -0.10  -0.05   0.02    -0.04   0.01  -0.03
    16   1     0.01  -0.02  -0.09    -0.10  -0.07  -0.01    -0.05   0.02  -0.13
    17   6    -0.06  -0.01   0.01    -0.08   0.04   0.09    -0.15  -0.03  -0.01
    18   1    -0.11   0.02   0.00    -0.14   0.07   0.23    -0.32   0.05   0.01
    19   1    -0.07  -0.06   0.06    -0.09  -0.03   0.02    -0.18  -0.23  -0.07
    20   6    -0.07   0.03  -0.01     0.08   0.18   0.07     0.08   0.01   0.04
    21   1    -0.07   0.13  -0.06     0.09   0.21   0.20     0.09   0.03   0.24
    22   1    -0.15  -0.00   0.01     0.17   0.23   0.06     0.22  -0.00  -0.02
    23   6     0.07  -0.03  -0.01     0.08   0.18  -0.07     0.08   0.01  -0.04
    24   1     0.15   0.00   0.01     0.17   0.23  -0.06     0.22  -0.00   0.02
    25   1     0.07  -0.13  -0.06     0.09   0.21  -0.20     0.09   0.03  -0.24
    26   6     0.06   0.01   0.01    -0.08   0.04  -0.09    -0.15  -0.03   0.01
    27   1     0.07   0.06   0.06    -0.09  -0.03  -0.02    -0.18  -0.23   0.07
    28   1     0.11  -0.02   0.00    -0.14   0.07  -0.23    -0.32   0.05  -0.01
    29   6    -0.02   0.01  -0.01    -0.10  -0.05  -0.02    -0.04   0.01   0.03
    30   1    -0.01   0.02  -0.09    -0.10  -0.07   0.01    -0.05   0.02   0.13
    31   6    -0.06   0.00  -0.00     0.04  -0.06   0.03    -0.04   0.00   0.00
    32   1     0.03   0.00  -0.01     0.05  -0.09   0.06    -0.12   0.01   0.00
    33   6    -0.10   0.01   0.00     0.10  -0.02   0.04    -0.08  -0.00  -0.00
    34   6     0.15   0.03  -0.00     0.01   0.00   0.10     0.06   0.00  -0.01
    35   1     0.34   0.03  -0.01    -0.00  -0.01   0.14     0.15   0.01  -0.02
    36   6     0.12   0.03  -0.00    -0.07   0.05   0.08     0.06   0.00  -0.01
    37   1     0.25   0.04  -0.01    -0.15   0.08   0.11     0.13   0.00  -0.01
    38   6    -0.15   0.02   0.00    -0.02   0.04   0.03    -0.08  -0.00   0.00
    39   1    -0.26   0.01   0.01    -0.05   0.08  -0.00    -0.13  -0.01   0.00
                     10                     11                     12
                      B                      A                      B
 Frequencies --    254.3723               258.4262               274.7929
 Red. masses --      5.7017                 4.0730                 3.4535
 Frc consts  --      0.2174                 0.1603                 0.1536
 IR Inten    --      3.4473                 2.0117                 0.0815
 RamAct Fr= 1--      8.0683               508.0014                 1.4856
  Dep-P Fr= 1--      0.7500                 0.4102                 0.7500
  Dep-U Fr= 1--      0.8571                 0.5818                 0.8571
 Alpha2 Fr= 1--      0.0000                 3.6267                 0.0000
 Beta2  Fr= 1--      1.1526                49.2573                 0.2122
 AlphaG Fr= 1--      0.0000               122.1508                -0.0000
 Gamma2 Fr= 1--    131.5211             -3885.7858               -32.9068
 Delta2 Fr= 1--      1.2854               -50.0055                -0.6873
 Raman1 Fr= 1--      32.273               2032.006                  5.943
 ROA1   Fr= 1--   12667.156            -374635.613              -3181.043
 CID1   Fr= 1--     392.496               -184.367               -535.297
 Raman2 Fr= 1--      13.831                591.087                  2.547
 ROA2   Fr= 1--    3146.222             -92858.816               -784.264
 CID2   Fr= 1--     227.469               -157.098               -307.939
 Raman3 Fr= 1--      27.663               1182.175                  5.094
 ROA3   Fr= 1--   12667.156            -374635.613              -3181.043
 CID3   Fr= 1--     457.912               -316.904               -624.513
 RC180  Fr= 1--       0.714                  0.164                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.01  -0.06  -0.00     0.00  -0.00   0.00     0.11  -0.01  -0.00
     2   7    -0.00  -0.01   0.21    -0.12  -0.02  -0.01    -0.03  -0.00   0.01
     3   7     0.01  -0.03   0.05     0.22  -0.02   0.01    -0.12  -0.01   0.00
     4   7     0.01  -0.03  -0.05    -0.22   0.02   0.01    -0.12  -0.01  -0.00
     5   7    -0.00  -0.01  -0.21     0.12   0.02  -0.01    -0.03  -0.00  -0.01
     6   6    -0.00   0.16   0.19     0.00  -0.02  -0.01    -0.11   0.00   0.00
     7   1     0.01   0.27   0.30     0.05  -0.02  -0.00    -0.21   0.01   0.00
     8   6    -0.01   0.18   0.05     0.07  -0.02  -0.01    -0.01   0.01  -0.00
     9   1    -0.02   0.28  -0.01     0.16  -0.01  -0.00    -0.02   0.01  -0.01
    10   6    -0.02   0.03  -0.00    -0.03  -0.03  -0.02     0.10   0.01   0.00
    11   1    -0.02  -0.00  -0.13    -0.01  -0.02  -0.02     0.19   0.01  -0.00
    12   6    -0.01  -0.06   0.13    -0.13  -0.03  -0.02     0.04  -0.00   0.01
    13   6     0.01  -0.05   0.13     0.05  -0.02  -0.01    -0.11  -0.01  -0.00
    14   1     0.02  -0.01   0.17     0.05  -0.02  -0.01    -0.20  -0.01  -0.01
    15   6     0.02   0.00   0.02     0.09  -0.04   0.00    -0.10  -0.02   0.02
    16   1     0.02   0.02   0.02     0.06  -0.16  -0.09    -0.10  -0.09   0.11
    17   6    -0.01  -0.04   0.00     0.02   0.01   0.06     0.11   0.04  -0.02
    18   1    -0.03  -0.03  -0.04     0.06  -0.01   0.04     0.34  -0.06   0.00
    19   1    -0.01  -0.06   0.01     0.03   0.05   0.19     0.14   0.30  -0.06
    20   6    -0.01  -0.07   0.01    -0.12   0.05  -0.01    -0.03  -0.01  -0.03
    21   1    -0.01  -0.08   0.02    -0.13   0.24  -0.21    -0.04  -0.04  -0.15
    22   1     0.01  -0.06   0.01    -0.37   0.01   0.07    -0.10  -0.02  -0.01
    23   6    -0.01  -0.07  -0.01     0.12  -0.05  -0.01    -0.03  -0.01   0.03
    24   1     0.01  -0.06  -0.01     0.37  -0.01   0.07    -0.10  -0.02   0.01
    25   1    -0.01  -0.08  -0.02     0.13  -0.24  -0.21    -0.04  -0.04   0.15
    26   6    -0.01  -0.04  -0.00    -0.02  -0.01   0.06     0.11   0.04   0.02
    27   1    -0.01  -0.06  -0.01    -0.03  -0.05   0.19     0.14   0.30   0.06
    28   1    -0.03  -0.03   0.04    -0.06   0.01   0.04     0.34  -0.06  -0.00
    29   6     0.02   0.00  -0.02    -0.09   0.04   0.00    -0.10  -0.02  -0.02
    30   1     0.02   0.02  -0.02    -0.06   0.16  -0.09    -0.10  -0.09  -0.11
    31   6     0.01  -0.05  -0.13    -0.05   0.02  -0.01    -0.11  -0.01   0.00
    32   1     0.02  -0.01  -0.17    -0.05   0.02  -0.01    -0.20  -0.01   0.01
    33   6    -0.01  -0.06  -0.13     0.13   0.03  -0.02     0.04  -0.00  -0.01
    34   6    -0.02   0.03   0.00     0.03   0.03  -0.02     0.10   0.01  -0.00
    35   1    -0.02  -0.00   0.13     0.01   0.02  -0.02     0.19   0.01   0.00
    36   6    -0.01   0.18  -0.05    -0.07   0.02  -0.01    -0.01   0.01   0.00
    37   1    -0.02   0.28   0.01    -0.16   0.01  -0.00    -0.02   0.01   0.01
    38   6    -0.00   0.16  -0.19    -0.00   0.02  -0.01    -0.11   0.00  -0.00
    39   1     0.01   0.27  -0.30    -0.05   0.02  -0.00    -0.21   0.01  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    277.5385               332.1465               340.4614
 Red. masses --      5.4608                 3.2960                 2.9470
 Frc consts  --      0.2478                 0.2142                 0.2013
 IR Inten    --      1.6958                 0.4416                 0.3676
 RamAct Fr= 1--   1289.0430              2715.8967              2231.0587
  Dep-P Fr= 1--      0.2532                 0.2858                 0.2444
  Dep-U Fr= 1--      0.4041                 0.4445                 0.3927
 Alpha2 Fr= 1--     15.1418                29.0530                26.8620
 Beta2  Fr= 1--     86.8087               201.2158               146.0386
 AlphaG Fr= 1--  -1745.1315             -1940.5116             -2917.1147
 Gamma2 Fr= 1--  -1502.9929             -5035.4654             -1365.8668
 Delta2 Fr= 1--    116.3977               136.1822               188.5049
 Raman1 Fr= 1--    5156.172              10863.587               8924.235
 ROA1   Fr= 1-- -140562.589            -479046.846            -125091.055
 CID1   Fr= 1--     -27.261                -44.097                -14.017
 Raman2 Fr= 1--    1041.704               2414.590               1752.463
 ROA2   Fr= 1--  -37003.010            -121940.627             -34288.842
 CID2   Fr= 1--     -35.522                -50.502                -19.566
 Raman3 Fr= 1--    2083.408               4829.180               3504.927
 ROA3   Fr= 1-- -140562.589            -479046.846            -125091.055
 CID3   Fr= 1--     -67.468                -99.198                -35.690
 RC180  Fr= 1--      -0.192                 -0.111                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.08    -0.00   0.00  -0.03    -0.00   0.00  -0.03
     2   7     0.01   0.05  -0.15     0.02   0.09  -0.02    -0.05   0.05  -0.00
     3   7    -0.01   0.04   0.04    -0.05   0.08   0.01     0.12   0.06   0.00
     4   7     0.01  -0.04   0.04     0.05  -0.08   0.01    -0.12  -0.06   0.00
     5   7    -0.01  -0.05  -0.15    -0.02  -0.09  -0.02     0.05  -0.05  -0.00
     6   6     0.01  -0.05  -0.13     0.00   0.03  -0.01     0.02   0.03   0.01
     7   1     0.01  -0.10  -0.19    -0.00  -0.02  -0.05     0.07   0.01  -0.00
     8   6     0.00  -0.06  -0.04    -0.01   0.02   0.08     0.02   0.02   0.06
     9   1     0.00  -0.13   0.01    -0.02  -0.04   0.11     0.05  -0.00   0.07
    10   6     0.00   0.04   0.00    -0.00   0.09   0.10    -0.05   0.06   0.06
    11   1    -0.00   0.06   0.08    -0.01   0.11   0.18    -0.06   0.07   0.10
    12   6     0.01   0.10  -0.07     0.01   0.13   0.02    -0.06   0.07   0.02
    13   6    -0.00   0.07  -0.06    -0.02   0.10   0.01     0.08   0.06   0.02
    14   1    -0.00   0.02  -0.12    -0.01   0.08  -0.01     0.13   0.06   0.03
    15   6     0.00   0.00   0.12     0.01   0.00   0.02     0.00   0.01  -0.02
    16   1     0.00  -0.00   0.10     0.01  -0.02   0.09    -0.00   0.02  -0.10
    17   6    -0.03   0.01   0.18     0.08   0.00  -0.02    -0.08  -0.06  -0.06
    18   1    -0.05   0.02   0.19     0.20  -0.05  -0.03    -0.26   0.02  -0.06
    19   1    -0.03  -0.02   0.20     0.11   0.14   0.03    -0.11  -0.26  -0.13
    20   6     0.01  -0.00   0.24    -0.08   0.03  -0.10     0.09  -0.04  -0.02
    21   1     0.01  -0.02   0.30    -0.09   0.17  -0.33     0.10  -0.18   0.19
    22   1     0.07  -0.03   0.19    -0.32   0.03  -0.01     0.31   0.01  -0.08
    23   6    -0.01   0.00   0.24     0.08  -0.03  -0.10    -0.09   0.04  -0.02
    24   1    -0.07   0.03   0.19     0.32  -0.03  -0.01    -0.31  -0.01  -0.08
    25   1    -0.01   0.02   0.30     0.09  -0.17  -0.33    -0.10   0.18   0.19
    26   6     0.03  -0.01   0.18    -0.08  -0.00  -0.02     0.08   0.06  -0.06
    27   1     0.03   0.02   0.20    -0.11  -0.14   0.03     0.11   0.26  -0.13
    28   1     0.05  -0.02   0.19    -0.20   0.05  -0.03     0.26  -0.02  -0.06
    29   6    -0.00  -0.00   0.12    -0.01  -0.00   0.02    -0.00  -0.01  -0.02
    30   1    -0.00   0.00   0.10    -0.01   0.02   0.09     0.00  -0.02  -0.10
    31   6     0.00  -0.07  -0.06     0.02  -0.10   0.01    -0.08  -0.06   0.02
    32   1     0.00  -0.02  -0.12     0.01  -0.08  -0.01    -0.13  -0.06   0.03
    33   6    -0.01  -0.10  -0.07    -0.01  -0.13   0.02     0.06  -0.07   0.02
    34   6    -0.00  -0.04   0.00     0.00  -0.09   0.10     0.05  -0.06   0.06
    35   1     0.00  -0.06   0.08     0.01  -0.11   0.18     0.06  -0.07   0.10
    36   6    -0.00   0.06  -0.04     0.01  -0.02   0.08    -0.02  -0.02   0.06
    37   1    -0.00   0.13   0.01     0.02   0.04   0.11    -0.05   0.00   0.07
    38   6    -0.01   0.05  -0.13    -0.00  -0.03  -0.01    -0.02  -0.03   0.01
    39   1    -0.01   0.10  -0.19     0.00   0.02  -0.05    -0.07  -0.01  -0.00
                     16                     17                     18
                      B                      A                      A
 Frequencies --    362.6339               387.4697               400.1794
 Red. masses --      4.6256                 3.5015                 5.8685
 Frc consts  --      0.3584                 0.3097                 0.5537
 IR Inten    --      0.1400                 1.9704                 2.6023
 RamAct Fr= 1--     17.1875                98.3104                50.8791
  Dep-P Fr= 1--      0.7500                 0.7498                 0.3299
  Dep-U Fr= 1--      0.8571                 0.8570                 0.4961
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.4762
 Beta2  Fr= 1--      2.4554                14.0417                 4.2069
 AlphaG Fr= 1--     -0.0000                -5.7898              -133.3359
 Gamma2 Fr= 1--    383.1892             -3595.3107             -1531.7891
 Delta2 Fr= 1--      2.5767               -57.0101               -12.4459
 Raman1 Fr= 1--      68.750                393.242                203.516
 ROA1   Fr= 1--   36868.616            -346974.154            -147450.028
 CID1   Fr= 1--     536.271               -882.343               -724.512
 Raman2 Fr= 1--      29.464                168.501                 50.483
 ROA2   Fr= 1--    9175.927             -85831.376             -36663.372
 CID2   Fr= 1--     311.426               -509.383               -726.248
 Raman3 Fr= 1--      58.928                337.002                100.966
 ROA3   Fr= 1--   36868.616            -346974.154            -147450.028
 CID3   Fr= 1--     625.650              -1029.592              -1460.386
 RC180  Fr= 1--       0.714                  0.714                 -0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.02   0.08   0.00    -0.00   0.00   0.10    -0.00  -0.00   0.20
     2   7     0.00   0.07  -0.01     0.05   0.03  -0.05    -0.05   0.02  -0.10
     3   7    -0.05  -0.05   0.05     0.13  -0.00   0.02    -0.12  -0.02   0.02
     4   7    -0.05  -0.05  -0.05    -0.13   0.00   0.02     0.12   0.02   0.02
     5   7     0.00   0.07   0.01    -0.05  -0.03  -0.05     0.05  -0.02  -0.10
     6   6    -0.02  -0.00   0.01    -0.07  -0.03  -0.05     0.06  -0.07  -0.10
     7   1    -0.03  -0.05  -0.04    -0.18  -0.08  -0.09     0.15  -0.12  -0.15
     8   6    -0.01  -0.01   0.08    -0.01  -0.04   0.00     0.02  -0.09  -0.03
     9   1    -0.01  -0.05   0.10    -0.01  -0.08   0.02     0.03  -0.14   0.00
    10   6     0.01   0.06   0.10     0.08   0.01   0.02    -0.07  -0.01  -0.01
    11   1     0.02   0.08   0.18     0.13   0.03   0.08    -0.11   0.01   0.07
    12   6     0.01   0.09   0.02     0.04   0.05  -0.03    -0.04   0.05  -0.08
    13   6    -0.03  -0.01   0.00    -0.18   0.01  -0.05     0.15   0.01  -0.06
    14   1    -0.03  -0.07  -0.05    -0.54  -0.02  -0.11     0.47  -0.04  -0.10
    15   6     0.07  -0.15   0.09     0.01  -0.01  -0.01    -0.01  -0.02   0.02
    16   1     0.07  -0.12   0.16     0.01  -0.03  -0.06    -0.00   0.01   0.08
    17   6     0.02  -0.14   0.18    -0.02  -0.03  -0.03     0.01  -0.06  -0.03
    18   1    -0.05  -0.11   0.21    -0.08  -0.01  -0.03    -0.04  -0.04  -0.03
    19   1     0.01  -0.22   0.27    -0.03  -0.10  -0.05     0.00  -0.10  -0.05
    20   6    -0.03  -0.01   0.10     0.02  -0.01  -0.04     0.01  -0.01  -0.07
    21   1    -0.03  -0.02   0.09     0.02  -0.04  -0.00     0.00  -0.01  -0.10
    22   1    -0.03   0.12   0.18     0.07   0.01  -0.04    -0.02   0.03  -0.04
    23   6    -0.03  -0.01  -0.10    -0.02   0.01  -0.04    -0.01   0.01  -0.07
    24   1    -0.03   0.12  -0.18    -0.07  -0.01  -0.04     0.02  -0.03  -0.04
    25   1    -0.03  -0.02  -0.09    -0.02   0.04  -0.00    -0.00   0.01  -0.10
    26   6     0.02  -0.14  -0.18     0.02   0.03  -0.03    -0.01   0.06  -0.03
    27   1     0.01  -0.22  -0.27     0.03   0.10  -0.05    -0.00   0.10  -0.05
    28   1    -0.05  -0.11  -0.21     0.08   0.01  -0.03     0.04   0.04  -0.03
    29   6     0.07  -0.15  -0.09    -0.01   0.01  -0.01     0.01   0.02   0.02
    30   1     0.07  -0.12  -0.16    -0.01   0.03  -0.06     0.00  -0.01   0.08
    31   6    -0.03  -0.01  -0.00     0.18  -0.01  -0.05    -0.15  -0.01  -0.06
    32   1    -0.03  -0.07   0.05     0.54   0.02  -0.11    -0.47   0.04  -0.10
    33   6     0.01   0.09  -0.02    -0.04  -0.05  -0.03     0.04  -0.05  -0.08
    34   6     0.01   0.06  -0.10    -0.08  -0.01   0.02     0.07   0.01  -0.01
    35   1     0.02   0.08  -0.18    -0.13  -0.03   0.08     0.11  -0.01   0.07
    36   6    -0.01  -0.01  -0.08     0.01   0.04   0.00    -0.02   0.09  -0.03
    37   1    -0.01  -0.05  -0.10     0.01   0.08   0.02    -0.03   0.14   0.00
    38   6    -0.02  -0.00  -0.01     0.07   0.03  -0.05    -0.06   0.07  -0.10
    39   1    -0.03  -0.05   0.04     0.18   0.08  -0.09    -0.15   0.12  -0.15
                     19                     20                     21
                      B                      B                      B
 Frequencies --    403.7349               427.0311               444.7521
 Red. masses --      3.0545                 3.9450                 6.2776
 Frc consts  --      0.2933                 0.4239                 0.7316
 IR Inten    --      6.1772                20.0852                 9.7146
 RamAct Fr= 1--      6.7900                 0.6950                38.9090
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9700                 0.0993                 5.5584
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--   -296.2595                54.3529               274.9105
 Delta2 Fr= 1--     -3.6866                 0.2211                 6.0902
 Raman1 Fr= 1--      27.160                  2.780                155.636
 ROA1   Fr= 1--  -28558.878               5224.949              26586.297
 CID1   Fr= 1--   -1051.503               1879.509                170.824
 Raman2 Fr= 1--      11.640                  1.191                 66.701
 ROA2   Fr= 1--   -7080.734               1302.700               6549.130
 CID2   Fr= 1--    -608.309               1093.411                 98.186
 Raman3 Fr= 1--      23.280                  2.383                133.402
 ROA3   Fr= 1--  -28558.878               5224.949              26586.297
 CID3   Fr= 1--   -1226.753               2192.761                199.294
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.02   0.04   0.00    -0.07   0.07   0.00     0.03   0.20   0.00
     2   7    -0.08   0.01   0.01     0.07  -0.00   0.04    -0.02  -0.10   0.08
     3   7     0.02  -0.02  -0.00     0.21  -0.01  -0.01    -0.12   0.02  -0.11
     4   7     0.02  -0.02   0.00     0.21  -0.01   0.01    -0.12   0.02   0.11
     5   7    -0.08   0.01  -0.01     0.07  -0.00  -0.04    -0.02  -0.10  -0.08
     6   6     0.05   0.00   0.02    -0.02  -0.00   0.04    -0.01  -0.03   0.07
     7   1     0.13  -0.00   0.01    -0.08   0.00   0.04    -0.01   0.03   0.13
     8   6     0.02  -0.00   0.02    -0.02  -0.01   0.02     0.01  -0.02  -0.06
     9   1     0.05  -0.00   0.03    -0.03   0.01   0.01     0.00   0.07  -0.11
    10   6    -0.08   0.00   0.02     0.04  -0.02   0.01     0.01  -0.13  -0.10
    11   1    -0.12   0.00   0.03     0.05  -0.02  -0.00     0.03  -0.16  -0.21
    12   6    -0.07   0.01   0.00     0.06  -0.02   0.01    -0.01  -0.17   0.01
    13   6     0.17  -0.01   0.01    -0.11  -0.03  -0.02     0.01  -0.02  -0.01
    14   1     0.38  -0.02   0.02    -0.48  -0.01  -0.03     0.14   0.08   0.12
    15   6    -0.16  -0.09  -0.01    -0.09  -0.09  -0.05     0.07  -0.04  -0.03
    16   1    -0.19  -0.25  -0.05    -0.11  -0.24  -0.15     0.09   0.04   0.05
    17   6     0.02   0.01  -0.00     0.01   0.00  -0.01    -0.00  -0.06  -0.01
    18   1     0.23  -0.08   0.08     0.15  -0.06   0.08    -0.19   0.03   0.07
    19   1     0.05   0.24  -0.09     0.03   0.15  -0.08    -0.03  -0.25   0.03
    20   6     0.01   0.01  -0.00     0.02   0.02  -0.02     0.02   0.08  -0.05
    21   1     0.01  -0.01  -0.00     0.01   0.03  -0.03     0.01   0.17  -0.18
    22   1     0.02   0.01  -0.01    -0.00   0.01  -0.02    -0.15   0.04  -0.01
    23   6     0.01   0.01   0.00     0.02   0.02   0.02     0.02   0.08   0.05
    24   1     0.02   0.01   0.01    -0.00   0.01   0.02    -0.15   0.04   0.01
    25   1     0.01  -0.01   0.00     0.01   0.03   0.03     0.01   0.17   0.18
    26   6     0.02   0.01   0.00     0.01   0.00   0.01    -0.00  -0.06   0.01
    27   1     0.05   0.24   0.09     0.03   0.15   0.08    -0.03  -0.25  -0.03
    28   1     0.23  -0.08  -0.08     0.15  -0.06  -0.08    -0.19   0.03  -0.07
    29   6    -0.16  -0.09   0.01    -0.09  -0.09   0.05     0.07  -0.04   0.03
    30   1    -0.19  -0.25   0.05    -0.11  -0.24   0.15     0.09   0.04  -0.05
    31   6     0.17  -0.01  -0.01    -0.11  -0.03   0.02     0.01  -0.02   0.01
    32   1     0.38  -0.02  -0.02    -0.48  -0.01   0.03     0.14   0.08  -0.12
    33   6    -0.07   0.01  -0.00     0.06  -0.02  -0.01    -0.01  -0.17  -0.01
    34   6    -0.08   0.00  -0.02     0.04  -0.02  -0.01     0.01  -0.13   0.10
    35   1    -0.12   0.00  -0.03     0.05  -0.02   0.00     0.03  -0.16   0.21
    36   6     0.02  -0.00  -0.02    -0.02  -0.01  -0.02     0.01  -0.02   0.06
    37   1     0.05  -0.00  -0.03    -0.03   0.01  -0.01     0.00   0.07   0.11
    38   6     0.05   0.00  -0.02    -0.02  -0.00  -0.04    -0.01  -0.03  -0.07
    39   1     0.13  -0.00  -0.01    -0.08   0.00  -0.04    -0.01   0.03  -0.13
                     22                     23                     24
                      A                      B                      A
 Frequencies --    470.5519               489.8625               573.8950
 Red. masses --      3.0700                 2.3348                 5.3475
 Frc consts  --      0.4005                 0.3301                 1.0377
 IR Inten    --      1.1387                 4.0366                 1.3244
 RamAct Fr= 1--   1215.8996                 4.4581              6422.7279
  Dep-P Fr= 1--      0.2511                 0.7500                 0.2861
  Dep-U Fr= 1--      0.4014                 0.8571                 0.4449
 Alpha2 Fr= 1--     14.3650                 0.0000                68.6428
 Beta2  Fr= 1--     81.3532                 0.6369               476.2574
 AlphaG Fr= 1--  -1411.2744                -0.0000             -7961.4569
 Gamma2 Fr= 1--  -1120.6233                62.8396             -7879.0068
 Delta2 Fr= 1--     87.7581                -0.4942               504.9320
 Raman1 Fr= 1--    4863.599                 17.833              25690.912
 ROA1   Fr= 1-- -104771.577               6016.789            -740226.831
 CID1   Fr= 1--     -21.542                337.406                -28.813
 Raman2 Fr= 1--     976.239                  7.643               5715.089
 ROA2   Fr= 1--  -27597.023               1512.104            -193135.620
 CID2   Fr= 1--     -28.269                197.855                -33.794
 Raman3 Fr= 1--    1952.477                 15.285              11430.177
 ROA3   Fr= 1-- -104771.577               6016.789            -740226.831
 CID3   Fr= 1--     -53.661                393.640                -64.761
 RC180  Fr= 1--      -0.197                  0.714                 -0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.04    -0.00   0.04  -0.00     0.00   0.00   0.06
     2   7    -0.01   0.03  -0.01     0.00  -0.04   0.00     0.00  -0.08   0.01
     3   7     0.03  -0.01  -0.03     0.01   0.02   0.03     0.03   0.26  -0.05
     4   7    -0.03   0.01  -0.03     0.01   0.02  -0.03    -0.03  -0.26  -0.05
     5   7     0.01  -0.03  -0.01     0.00  -0.04  -0.00    -0.00   0.08   0.01
     6   6     0.00   0.00  -0.00     0.00  -0.02  -0.01    -0.01  -0.01   0.01
     7   1     0.02  -0.02  -0.03    -0.00   0.01   0.01    -0.02   0.05   0.06
     8   6     0.00  -0.01   0.03     0.00  -0.01  -0.05     0.01  -0.00  -0.08
     9   1     0.01  -0.03   0.04     0.00   0.01  -0.07     0.02   0.05  -0.11
    10   6    -0.01   0.02   0.04     0.00  -0.04  -0.06     0.00  -0.07  -0.10
    11   1    -0.02   0.03   0.08     0.01  -0.06  -0.11     0.01  -0.11  -0.22
    12   6    -0.01   0.04  -0.01     0.00  -0.05  -0.00    -0.00  -0.08   0.02
    13   6     0.02  -0.00  -0.02     0.00   0.02   0.01    -0.00   0.25   0.01
    14   1     0.02  -0.01  -0.03    -0.01   0.03   0.03    -0.06   0.41   0.20
    15   6    -0.07   0.07  -0.11    -0.01   0.06   0.04    -0.03   0.07   0.05
    16   1    -0.06   0.15  -0.20    -0.01   0.06   0.03    -0.02   0.09   0.05
    17   6    -0.04   0.22  -0.05    -0.00   0.06   0.07     0.00   0.02  -0.01
    18   1     0.21   0.11  -0.07     0.18  -0.03  -0.05     0.06  -0.00  -0.01
    19   1    -0.00   0.46  -0.08     0.03   0.25   0.12     0.01   0.09  -0.03
    20   6    -0.02   0.02   0.08    -0.05  -0.09   0.13    -0.01   0.00   0.01
    21   1    -0.01   0.02   0.18    -0.03  -0.27   0.38    -0.01   0.01   0.00
    22   1     0.07  -0.11  -0.04     0.28   0.02   0.07    -0.02  -0.02   0.00
    23   6     0.02  -0.02   0.08    -0.05  -0.09  -0.13     0.01  -0.00   0.01
    24   1    -0.07   0.11  -0.04     0.28   0.02  -0.07     0.02   0.02   0.00
    25   1     0.01  -0.02   0.18    -0.03  -0.27  -0.38     0.01  -0.01   0.00
    26   6     0.04  -0.22  -0.05    -0.00   0.06  -0.07    -0.00  -0.02  -0.01
    27   1     0.00  -0.46  -0.08     0.03   0.25  -0.12    -0.01  -0.09  -0.03
    28   1    -0.21  -0.11  -0.07     0.18  -0.03   0.05    -0.06   0.00  -0.01
    29   6     0.07  -0.07  -0.11    -0.01   0.06  -0.04     0.03  -0.07   0.05
    30   1     0.06  -0.15  -0.20    -0.01   0.06  -0.03     0.02  -0.09   0.05
    31   6    -0.02   0.00  -0.02     0.00   0.02  -0.01     0.00  -0.25   0.01
    32   1    -0.02   0.01  -0.03    -0.01   0.03  -0.03     0.06  -0.41   0.20
    33   6     0.01  -0.04  -0.01     0.00  -0.05   0.00     0.00   0.08   0.02
    34   6     0.01  -0.02   0.04     0.00  -0.04   0.06    -0.00   0.07  -0.10
    35   1     0.02  -0.03   0.08     0.01  -0.06   0.11    -0.01   0.11  -0.22
    36   6    -0.00   0.01   0.03     0.00  -0.01   0.05    -0.01   0.00  -0.08
    37   1    -0.01   0.03   0.04     0.00   0.01   0.07    -0.02  -0.05  -0.11
    38   6    -0.00  -0.00  -0.00     0.00  -0.02   0.01     0.01   0.01   0.01
    39   1    -0.02   0.02  -0.03    -0.00   0.01  -0.01     0.02  -0.05   0.06
                     25                     26                     27
                      A                      B                      B
 Frequencies --    608.6311               612.0366               615.4482
 Red. masses --      2.8298                 4.4663                 3.1206
 Frc consts  --      0.6176                 0.9857                 0.6964
 IR Inten    --      0.0001                 3.7047                13.1535
 RamAct Fr= 1--     10.2246                 0.1583                 0.1975
  Dep-P Fr= 1--      0.3394                 0.7500                 0.7500
  Dep-U Fr= 1--      0.5068                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0929                 0.0000                 0.0000
 Beta2  Fr= 1--      0.8637                 0.0226                 0.0282
 AlphaG Fr= 1--    -15.3099                -0.0000                 0.0000
 Gamma2 Fr= 1--      1.2893                20.3113               -31.8417
 Delta2 Fr= 1--      2.8732                 0.1357                -0.6188
 Raman1 Fr= 1--      40.898                  0.633                  0.790
 ROA1   Fr= 1--     215.717               1954.225              -3076.607
 CID1   Fr= 1--       5.274               3086.210              -3893.684
 Raman2 Fr= 1--      10.364                  0.271                  0.339
 ROA2   Fr= 1--       7.958                486.385               -759.251
 CID2   Fr= 1--       0.768               1792.289              -2242.079
 Raman3 Fr= 1--      20.728                  0.543                  0.677
 ROA3   Fr= 1--     215.717               1954.225              -3076.607
 CID3   Fr= 1--      10.407               3600.578              -4542.631
 RC180  Fr= 1--       0.014                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00  -0.00    -0.00  -0.08   0.00    -0.00   0.02   0.00
     2   7     0.06   0.00   0.00     0.02  -0.05   0.00     0.06   0.01   0.00
     3   7    -0.01  -0.01   0.00     0.03   0.20  -0.06    -0.02  -0.05   0.02
     4   7     0.01   0.01   0.00     0.03   0.20   0.06    -0.02  -0.05  -0.02
     5   7    -0.06  -0.00   0.00     0.02  -0.05  -0.00     0.06   0.01  -0.00
     6   6    -0.12  -0.01  -0.01    -0.04   0.00  -0.00    -0.13  -0.01  -0.01
     7   1    -0.47  -0.02  -0.03    -0.15   0.03   0.02    -0.44  -0.03  -0.03
     8   6     0.19   0.01   0.01     0.07   0.01  -0.02     0.19   0.01   0.02
     9   1     0.22   0.01   0.01     0.09   0.03  -0.03     0.24   0.01   0.02
    10   6    -0.15  -0.01  -0.01    -0.05  -0.03  -0.04    -0.15  -0.00  -0.00
    11   1    -0.38  -0.02  -0.02    -0.13  -0.05  -0.10    -0.37  -0.01   0.00
    12   6     0.06   0.00   0.00     0.03  -0.02   0.01     0.07   0.01   0.00
    13   6     0.02  -0.00   0.00     0.01   0.21  -0.01     0.02  -0.05   0.00
    14   1    -0.03  -0.01  -0.01    -0.08   0.34   0.13    -0.03  -0.09  -0.04
    15   6    -0.00  -0.00   0.00    -0.06  -0.06   0.02     0.01   0.02  -0.00
    16   1    -0.00   0.00   0.01    -0.07  -0.19   0.08     0.02   0.05  -0.01
    17   6     0.00  -0.00  -0.00     0.04  -0.11   0.08    -0.01   0.03  -0.02
    18   1     0.00  -0.00  -0.00     0.01  -0.10   0.16    -0.01   0.03  -0.04
    19   1     0.00   0.00  -0.00     0.03  -0.13   0.07    -0.01   0.03  -0.02
    20   6     0.00  -0.00  -0.00     0.01   0.01   0.03    -0.00  -0.00  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.08  -0.10     0.00  -0.02   0.02
    22   1    -0.00   0.00  -0.00    -0.14   0.08   0.13     0.03  -0.02  -0.03
    23   6    -0.00   0.00  -0.00     0.01   0.01  -0.03    -0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.00    -0.14   0.08  -0.13     0.03  -0.02   0.03
    25   1    -0.00   0.00  -0.00    -0.00   0.08   0.10     0.00  -0.02  -0.02
    26   6    -0.00   0.00  -0.00     0.04  -0.11  -0.08    -0.01   0.03   0.02
    27   1    -0.00  -0.00  -0.00     0.03  -0.13  -0.07    -0.01   0.03   0.02
    28   1    -0.00   0.00  -0.00     0.01  -0.10  -0.16    -0.01   0.03   0.04
    29   6     0.00   0.00   0.00    -0.06  -0.06  -0.02     0.01   0.02   0.00
    30   1     0.00  -0.00   0.01    -0.07  -0.19  -0.08     0.02   0.05   0.01
    31   6    -0.02   0.00   0.00     0.01   0.21   0.01     0.02  -0.05  -0.00
    32   1     0.03   0.01  -0.01    -0.08   0.34  -0.13    -0.03  -0.09   0.04
    33   6    -0.06  -0.00   0.00     0.03  -0.02  -0.01     0.07   0.01  -0.00
    34   6     0.15   0.01  -0.01    -0.05  -0.03   0.04    -0.15  -0.00   0.00
    35   1     0.38   0.02  -0.02    -0.13  -0.05   0.10    -0.37  -0.01  -0.00
    36   6    -0.19  -0.01   0.01     0.07   0.01   0.02     0.19   0.01  -0.02
    37   1    -0.22  -0.01   0.01     0.09   0.03   0.03     0.24   0.01  -0.02
    38   6     0.12   0.01  -0.01    -0.04   0.00   0.00    -0.13  -0.01   0.01
    39   1     0.47   0.02  -0.03    -0.15   0.03  -0.02    -0.44  -0.03   0.03
                     28                     29                     30
                      B                      A                      B
 Frequencies --    661.8961               662.6128               696.8617
 Red. masses --      3.5929                 5.3363                 3.7105
 Frc consts  --      0.9274                 1.3804                 1.0616
 IR Inten    --     12.4984                 0.0009                13.5540
 RamAct Fr= 1--      2.0856             16106.6437                 0.6833
  Dep-P Fr= 1--      0.7500                 0.3082                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4712                 0.8571
 Alpha2 Fr= 1--      0.0000               161.1555                 0.0000
 Beta2  Fr= 1--      0.2979              1264.9492                 0.0976
 AlphaG Fr= 1--     -0.0000            -13958.5902                -0.0000
 Gamma2 Fr= 1--     34.9140            -31001.8583               -16.5464
 Delta2 Fr= 1--      3.1625               844.6512                -0.5740
 Raman1 Fr= 1--       8.342              64426.575                  2.733
 ROA1   Fr= 1--    3452.941           -2949149.559              -1606.824
 CID1   Fr= 1--     413.904                -45.775               -587.910
 Raman2 Fr= 1--       3.575              15179.391                  1.171
 ROA2   Fr= 1--     812.635            -750801.809               -392.523
 CID2   Fr= 1--     227.291                -49.462               -335.107
 Raman3 Fr= 1--       7.151              30358.782                  2.343
 ROA3   Fr= 1--    3452.941           -2949149.559              -1606.824
 CID3   Fr= 1--     482.888                -97.143               -685.895
 RC180  Fr= 1--       0.714                 -0.058                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.04  -0.00     0.00  -0.00  -0.04     0.00  -0.00   0.00
     2   7    -0.03  -0.03  -0.04    -0.04  -0.03  -0.05    -0.21  -0.01  -0.00
     3   7     0.04  -0.02   0.20     0.06  -0.04   0.24    -0.01  -0.00  -0.03
     4   7     0.04  -0.02  -0.20    -0.06   0.04   0.24    -0.01  -0.00   0.03
     5   7    -0.03  -0.03   0.04     0.04   0.03  -0.05    -0.21  -0.01   0.00
     6   6     0.02  -0.03  -0.06     0.02  -0.03  -0.08     0.10   0.01   0.02
     7   1     0.04  -0.01  -0.04     0.07  -0.01  -0.06     0.16   0.01   0.02
     8   6     0.00  -0.02  -0.08     0.01  -0.02  -0.09     0.01   0.00   0.01
     9   1    -0.02  -0.04  -0.08    -0.01  -0.05  -0.08    -0.33  -0.01  -0.01
    10   6    -0.01   0.01  -0.06    -0.01   0.03  -0.06    -0.03  -0.01   0.01
    11   1    -0.04  -0.01  -0.12    -0.04   0.01  -0.13    -0.45  -0.02  -0.01
    12   6     0.03  -0.00   0.04     0.02   0.00   0.05     0.24   0.01   0.00
    13   6     0.01  -0.00   0.12     0.02  -0.03   0.15    -0.03  -0.00  -0.03
    14   1    -0.08  -0.05   0.06    -0.10  -0.11   0.07    -0.20  -0.00  -0.04
    15   6    -0.07   0.07   0.12    -0.14   0.06   0.14     0.02  -0.00  -0.01
    16   1    -0.08   0.00   0.15    -0.12   0.22   0.07     0.03   0.03  -0.00
    17   6     0.02  -0.03   0.02    -0.03   0.04  -0.05     0.00   0.00  -0.00
    18   1    -0.15   0.05  -0.04     0.17  -0.06  -0.06     0.01   0.00  -0.00
    19   1    -0.01  -0.18  -0.11    -0.01   0.27  -0.24     0.00   0.01   0.02
    20   6     0.05  -0.04  -0.04     0.02  -0.01  -0.12    -0.01   0.01   0.00
    21   1     0.03   0.16  -0.34     0.02  -0.03  -0.09    -0.01  -0.02   0.05
    22   1    -0.31  -0.08   0.09     0.05   0.05  -0.10     0.04   0.01  -0.01
    23   6     0.05  -0.04   0.04    -0.02   0.01  -0.12    -0.01   0.01  -0.00
    24   1    -0.31  -0.08  -0.09    -0.05  -0.05  -0.10     0.04   0.01   0.01
    25   1     0.03   0.16   0.34    -0.02   0.03  -0.09    -0.01  -0.02  -0.05
    26   6     0.02  -0.03  -0.02     0.03  -0.04  -0.05     0.00   0.00   0.00
    27   1    -0.01  -0.18   0.11     0.01  -0.27  -0.24     0.00   0.01  -0.02
    28   1    -0.15   0.05   0.04    -0.17   0.06  -0.06     0.01   0.00   0.00
    29   6    -0.07   0.07  -0.12     0.14  -0.06   0.14     0.02  -0.00   0.01
    30   1    -0.08   0.00  -0.15     0.12  -0.22   0.07     0.03   0.03   0.00
    31   6     0.01  -0.00  -0.12    -0.02   0.03   0.15    -0.03  -0.00   0.03
    32   1    -0.08  -0.05  -0.06     0.10   0.11   0.07    -0.20  -0.00   0.04
    33   6     0.03  -0.00  -0.04    -0.02  -0.00   0.05     0.24   0.01  -0.00
    34   6    -0.01   0.01   0.06     0.01  -0.03  -0.06    -0.03  -0.01  -0.01
    35   1    -0.04  -0.01   0.12     0.04  -0.01  -0.13    -0.45  -0.02   0.01
    36   6     0.00  -0.02   0.08    -0.01   0.02  -0.09     0.01   0.00  -0.01
    37   1    -0.02  -0.04   0.08     0.01   0.05  -0.08    -0.33  -0.01   0.01
    38   6     0.02  -0.03   0.06    -0.02   0.03  -0.08     0.10   0.01  -0.02
    39   1     0.04  -0.01   0.04    -0.07   0.01  -0.06     0.16   0.01  -0.02
                     31                     32                     33
                      A                      A                      B
 Frequencies --    697.6312               738.1509               741.6840
 Red. masses --      3.7056                 1.3191                 1.3341
 Frc consts  --      1.0626                 0.4235                 0.4324
 IR Inten    --      0.1141                 0.5979               111.5325
 RamAct Fr= 1--    132.6186                23.9255                 8.5516
  Dep-P Fr= 1--      0.1690                 0.2468                 0.7500
  Dep-U Fr= 1--      0.2891                 0.3959                 0.8571
 Alpha2 Fr= 1--      1.9529                 0.2861                 0.0000
 Beta2  Fr= 1--      6.3910                 1.5787                 1.2217
 AlphaG Fr= 1--   -480.0501               -45.0124                -0.0000
 Gamma2 Fr= 1--  -1821.5980                88.1032               -34.3669
 Delta2 Fr= 1--    -11.2666                 5.2821                 5.0297
 Raman1 Fr= 1--     530.475                 95.702                 34.206
 ROA1   Fr= 1-- -175233.940               8626.931              -3138.270
 CID1   Fr= 1--    -330.334                 90.144                -91.746
 Raman2 Fr= 1--      76.692                 18.944                 14.660
 ROA2   Fr= 1--  -43628.220               2072.219               -865.043
 CID2   Fr= 1--    -568.877                109.387                -59.008
 Raman3 Fr= 1--     153.384                 37.888                 29.320
 ROA3   Fr= 1-- -175233.940               8626.931              -3138.270
 CID3   Fr= 1--   -1142.454                227.697               -107.036
 RC180  Fr= 1--      -0.422                 -0.208                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7    -0.21  -0.01  -0.00    -0.02  -0.00   0.00    -0.02  -0.00  -0.00
     3   7     0.01   0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   7    -0.01  -0.00  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.21   0.01  -0.00     0.02   0.00   0.00    -0.02  -0.00   0.00
     6   6     0.09   0.01   0.02    -0.03  -0.00   0.00    -0.01  -0.00   0.00
     7   1     0.18   0.01   0.02     0.24   0.01   0.02     0.22   0.01   0.01
     8   6     0.02   0.00   0.01    -0.05  -0.00   0.00    -0.05  -0.00  -0.00
     9   1    -0.30  -0.01  -0.01     0.57   0.03   0.04     0.57   0.03   0.03
    10   6    -0.03  -0.01   0.01    -0.07  -0.01  -0.00    -0.07  -0.00  -0.00
    11   1    -0.46  -0.03  -0.01     0.30   0.01   0.02     0.32   0.01   0.02
    12   6     0.24   0.01   0.00     0.07   0.00   0.00     0.07   0.00   0.00
    13   6    -0.03   0.00  -0.03     0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.22   0.00  -0.04    -0.06  -0.00  -0.01    -0.06  -0.00  -0.01
    15   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.02  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    17   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.01   0.02     0.01  -0.01   0.00    -0.00   0.00  -0.00
    19   1     0.01  -0.02   0.02     0.00   0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.01  -0.00   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02     0.00  -0.00   0.00     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   6    -0.01   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.01   0.02   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    28   1    -0.00   0.01   0.02    -0.01   0.01   0.00    -0.00   0.00   0.00
    29   6    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1    -0.00   0.02  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    31   6     0.03  -0.00  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    32   1     0.22  -0.00  -0.04     0.06   0.00  -0.01    -0.06  -0.00   0.01
    33   6    -0.24  -0.01   0.00    -0.07  -0.00   0.00     0.07   0.00  -0.00
    34   6     0.03   0.01   0.01     0.07   0.01  -0.00    -0.07  -0.00   0.00
    35   1     0.46   0.03  -0.01    -0.30  -0.01   0.02     0.32   0.01  -0.02
    36   6    -0.02  -0.00   0.01     0.05   0.00   0.00    -0.05  -0.00   0.00
    37   1     0.30   0.01  -0.01    -0.57  -0.03   0.04     0.57   0.03  -0.03
    38   6    -0.09  -0.01   0.02     0.03   0.00   0.00    -0.01  -0.00  -0.00
    39   1    -0.18  -0.01   0.02    -0.24  -0.01   0.02     0.22   0.01  -0.01
                     34                     35                     36
                      A                      B                      A
 Frequencies --    784.2491               808.2602               821.4294
 Red. masses --      2.3116                 3.4449                 1.3973
 Frc consts  --      0.8377                 1.3260                 0.5555
 IR Inten    --     20.6494                11.1505                 0.0683
 RamAct Fr= 1--    370.3840                 7.7308               139.0177
  Dep-P Fr= 1--      0.2251                 0.7500                 0.6531
  Dep-U Fr= 1--      0.3675                 0.8571                 0.7901
 Alpha2 Fr= 1--      4.7014                 0.0000                 0.2415
 Beta2  Fr= 1--     22.6888                 1.1044                18.3074
 AlphaG Fr= 1--   -480.3215                -0.0000                63.0854
 Gamma2 Fr= 1--   -259.4038              -484.9650             -2807.0389
 Delta2 Fr= 1--     30.6161                -2.8684               -28.1628
 Raman1 Fr= 1--    1481.536                 30.923                556.071
 ROA1   Fr= 1--  -23923.046             -46648.431            -270376.949
 CID1   Fr= 1--     -16.147              -1508.532               -486.227
 Raman2 Fr= 1--     272.265                 13.253                219.688
 ROA2   Fr= 1--   -6470.619             -11616.213             -67143.632
 CID2   Fr= 1--     -23.766               -876.514               -305.631
 Raman3 Fr= 1--     544.530                 26.505                439.377
 ROA3   Fr= 1--  -23923.046             -46648.431            -270376.949
 CID3   Fr= 1--     -43.933              -1759.954               -615.365
 RC180  Fr= 1--      -0.265                  0.714                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   7    -0.01  -0.01  -0.02     0.00  -0.03  -0.04     0.03  -0.00   0.00
     3   7    -0.02   0.00   0.01    -0.02   0.01  -0.03     0.00   0.00  -0.00
     4   7     0.02  -0.00   0.01    -0.02   0.01   0.03    -0.00  -0.00  -0.00
     5   7     0.01   0.01  -0.02     0.00  -0.03   0.04    -0.03   0.00   0.00
     6   6     0.00  -0.02  -0.05     0.00  -0.03  -0.09    -0.11  -0.00  -0.01
     7   1     0.03  -0.00  -0.04     0.02  -0.00  -0.07     0.50   0.03   0.04
     8   6     0.00  -0.00  -0.05     0.00  -0.00  -0.09     0.00  -0.00   0.00
     9   1     0.03  -0.06  -0.01     0.02  -0.12  -0.01     0.12   0.00   0.01
    10   6    -0.00   0.05  -0.01    -0.00   0.12  -0.01     0.07   0.00   0.00
    11   1    -0.03   0.04  -0.04    -0.03   0.10  -0.06    -0.46  -0.02  -0.03
    12   6     0.02   0.01   0.05     0.00   0.01   0.10    -0.01  -0.00   0.00
    13   6    -0.02  -0.01   0.10    -0.02  -0.02   0.20    -0.01   0.00   0.00
    14   1     0.02   0.04   0.17    -0.05   0.13   0.37     0.08   0.00   0.01
    15   6     0.12   0.04  -0.03     0.05  -0.09  -0.07    -0.00  -0.00  -0.00
    16   1     0.10  -0.07   0.05     0.05  -0.07  -0.08    -0.00  -0.00  -0.01
    17   6     0.05   0.12  -0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    18   1    -0.38   0.32  -0.04     0.08  -0.06   0.09     0.02  -0.01  -0.00
    19   1    -0.02  -0.34   0.06     0.01   0.06   0.05     0.00   0.02   0.00
    20   6     0.04   0.05   0.00    -0.04   0.06  -0.04    -0.00  -0.00  -0.00
    21   1     0.03   0.03  -0.11    -0.02  -0.14   0.21    -0.00  -0.00   0.01
    22   1    -0.05  -0.03  -0.01     0.26   0.05  -0.16     0.01  -0.00  -0.00
    23   6    -0.04  -0.05   0.00    -0.04   0.06   0.04     0.00   0.00  -0.00
    24   1     0.05   0.03  -0.01     0.26   0.05   0.16    -0.01   0.00  -0.00
    25   1    -0.03  -0.03  -0.11    -0.02  -0.14  -0.21     0.00   0.00   0.01
    26   6    -0.05  -0.12  -0.01    -0.01  -0.02   0.05     0.00   0.00  -0.00
    27   1     0.02   0.34   0.06     0.01   0.06  -0.05    -0.00  -0.02   0.00
    28   1     0.38  -0.32  -0.04     0.08  -0.06  -0.09    -0.02   0.01  -0.00
    29   6    -0.12  -0.04  -0.03     0.05  -0.09   0.07     0.00   0.00  -0.00
    30   1    -0.10   0.07   0.05     0.05  -0.07   0.08     0.00   0.00  -0.01
    31   6     0.02   0.01   0.10    -0.02  -0.02  -0.20     0.01  -0.00   0.00
    32   1    -0.02  -0.04   0.17    -0.05   0.13  -0.37    -0.08  -0.00   0.01
    33   6    -0.02  -0.01   0.05     0.00   0.01  -0.10     0.01   0.00   0.00
    34   6     0.00  -0.05  -0.01    -0.00   0.12   0.01    -0.07  -0.00   0.00
    35   1     0.03  -0.04  -0.04    -0.03   0.10   0.06     0.46   0.02  -0.03
    36   6    -0.00   0.00  -0.05     0.00  -0.00   0.09    -0.00   0.00   0.00
    37   1    -0.03   0.06  -0.01     0.02  -0.12   0.01    -0.12  -0.00   0.01
    38   6    -0.00   0.02  -0.05     0.00  -0.03   0.09     0.11   0.00  -0.01
    39   1    -0.03   0.00  -0.04     0.02  -0.00   0.07    -0.50  -0.03   0.04
                     37                     38                     39
                      B                      A                      A
 Frequencies --    828.3827               832.4511               852.6933
 Red. masses --      1.3278                 3.5105                 1.7863
 Frc consts  --      0.5369                 1.4333                 0.7652
 IR Inten    --      1.0153                34.8498                13.9749
 RamAct Fr= 1--      3.0386                32.4605                49.5020
  Dep-P Fr= 1--      0.7500                 0.7009                 0.2508
  Dep-U Fr= 1--      0.8571                 0.8241                 0.4011
 Alpha2 Fr= 1--      0.0000                 0.0278                 0.5853
 Beta2  Fr= 1--      0.4341                 4.4586                 3.3089
 AlphaG Fr= 1--      0.0000               -28.9664               -20.3417
 Gamma2 Fr= 1--    -23.4121               214.6996              -140.8020
 Delta2 Fr= 1--     -0.2500                 0.3151                 4.7314
 Raman1 Fr= 1--      12.154                129.842                198.008
 ROA1   Fr= 1--   -2255.558              20621.240             -13365.581
 CID1   Fr= 1--    -185.575                158.818                -67.500
 Raman2 Fr= 1--       5.209                 53.503                 39.707
 ROA2   Fr= 1--    -559.890               5150.268              -3417.098
 CID2   Fr= 1--    -107.484                 96.261                -86.059
 Raman3 Fr= 1--      10.418                107.006                 79.413
 ROA3   Fr= 1--   -2255.558              20621.240             -13365.581
 CID3   Fr= 1--    -216.504                192.711               -168.305
 RC180  Fr= 1--       0.714                  0.648                 -0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00   0.00     0.00  -0.00   0.02     0.00  -0.00  -0.00
     2   7    -0.02  -0.00  -0.00    -0.00  -0.02  -0.03     0.00   0.01   0.00
     3   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.07     0.01  -0.01   0.02
     4   7    -0.01  -0.00   0.00     0.01  -0.00  -0.07    -0.01   0.01   0.02
     5   7    -0.02  -0.00   0.00     0.00   0.02  -0.03    -0.00  -0.01   0.00
     6   6     0.08   0.00   0.00     0.01  -0.03  -0.08    -0.01   0.00   0.01
     7   1    -0.42  -0.02  -0.03    -0.02  -0.01  -0.06     0.04   0.00   0.01
     8   6     0.02   0.00   0.00     0.00  -0.00  -0.07     0.01  -0.00   0.01
     9   1    -0.23  -0.01  -0.01     0.00  -0.12   0.00    -0.03   0.02  -0.00
    10   6    -0.08  -0.00  -0.00    -0.01   0.11  -0.00    -0.00  -0.02  -0.00
    11   1     0.50   0.03   0.03     0.01   0.10  -0.02     0.02  -0.02   0.00
    12   6     0.01  -0.00   0.00     0.00   0.01   0.08    -0.01   0.00  -0.01
    13   6     0.01  -0.00   0.00    -0.01  -0.04   0.15     0.01  -0.00  -0.02
    14   1    -0.08   0.00  -0.00    -0.06   0.10   0.31    -0.02  -0.05  -0.07
    15   6     0.00  -0.00  -0.00     0.02  -0.05  -0.09    -0.04   0.05   0.01
    16   1     0.00   0.00   0.00     0.01  -0.07  -0.13    -0.03   0.09   0.01
    17   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.04     0.05  -0.02  -0.07
    18   1    -0.00   0.00   0.00     0.26  -0.26  -0.12    -0.10   0.04  -0.20
    19   1     0.00  -0.00   0.00     0.03   0.15   0.05     0.02  -0.18  -0.28
    20   6    -0.00   0.00  -0.00    -0.08  -0.09   0.09     0.01  -0.08   0.11
    21   1    -0.00  -0.01   0.01    -0.07  -0.04   0.17    -0.02  -0.01  -0.28
    22   1     0.01   0.00  -0.00    -0.03  -0.12   0.05    -0.36  -0.20   0.19
    23   6    -0.00   0.00   0.00     0.08   0.09   0.09    -0.01   0.08   0.11
    24   1     0.01   0.00   0.00     0.03   0.12   0.05     0.36   0.20   0.19
    25   1    -0.00  -0.01  -0.01     0.07   0.04   0.17     0.02   0.01  -0.28
    26   6     0.00  -0.00   0.00     0.02   0.13  -0.04    -0.05   0.02  -0.07
    27   1     0.00  -0.00  -0.00    -0.03  -0.15   0.05    -0.02   0.18  -0.28
    28   1    -0.00   0.00  -0.00    -0.26   0.26  -0.12     0.10  -0.04  -0.20
    29   6     0.00  -0.00   0.00    -0.02   0.05  -0.09     0.04  -0.05   0.01
    30   1     0.00   0.00  -0.00    -0.01   0.07  -0.13     0.03  -0.09   0.01
    31   6     0.01  -0.00  -0.00     0.01   0.04   0.15    -0.01   0.00  -0.02
    32   1    -0.08   0.00   0.00     0.06  -0.10   0.31     0.02   0.05  -0.07
    33   6     0.01  -0.00  -0.00    -0.00  -0.01   0.08     0.01  -0.00  -0.01
    34   6    -0.08  -0.00   0.00     0.01  -0.11  -0.00     0.00   0.02  -0.00
    35   1     0.50   0.03  -0.03    -0.01  -0.10  -0.02    -0.02   0.02   0.00
    36   6     0.02   0.00  -0.00    -0.00   0.00  -0.07    -0.01   0.00   0.01
    37   1    -0.23  -0.01   0.01    -0.00   0.12   0.00     0.03  -0.02  -0.00
    38   6     0.08   0.00  -0.00    -0.01   0.03  -0.08     0.01  -0.00   0.01
    39   1    -0.42  -0.02   0.03     0.02   0.01  -0.06    -0.04  -0.00   0.01
                     40                     41                     42
                      A                      B                      B
 Frequencies --    859.3042               867.2933               882.5731
 Red. masses --      1.3650                 1.3610                 1.8945
 Frc consts  --      0.5938                 0.6032                 0.8695
 IR Inten    --      0.7634                 4.7569                 3.3158
 RamAct Fr= 1--      5.6958                 1.9070                 3.1996
  Dep-P Fr= 1--      0.7367                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8484                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0013                 0.0000                 0.0000
 Beta2  Fr= 1--      0.8054                 0.2724                 0.4571
 AlphaG Fr= 1--      0.3875                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0219                -7.2347              -114.2835
 Delta2 Fr= 1--      1.7499                 0.1007                -0.9415
 Raman1 Fr= 1--      22.783                  7.628                 12.798
 ROA1   Fr= 1--      53.894               -691.308             -11001.348
 CID1   Fr= 1--       2.366                -90.626               -859.597
 Raman2 Fr= 1--       9.664                  3.269                  5.485
 ROA2   Fr= 1--     -14.525               -174.438              -2735.272
 CID2   Fr= 1--      -1.503                -53.358               -498.685
 Raman3 Fr= 1--      19.329                  6.538                 10.970
 ROA3   Fr= 1--      53.894               -691.308             -11001.348
 CID3   Fr= 1--       2.788               -105.730              -1002.863
 RC180  Fr= 1--       0.697                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   7    -0.01   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.09
     4   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.09
     5   7     0.01  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6     0.07   0.00   0.01    -0.09  -0.00  -0.00     0.00  -0.00  -0.03
     7   1    -0.39  -0.03  -0.03     0.51   0.02   0.03     0.00  -0.00  -0.03
     8   6    -0.08  -0.00  -0.00     0.08   0.00   0.00     0.00   0.01  -0.01
     9   1     0.43   0.03   0.02    -0.37  -0.02  -0.02    -0.01  -0.05   0.02
    10   6     0.06   0.00   0.00    -0.05  -0.00  -0.00    -0.00   0.04   0.01
    11   1    -0.38  -0.02  -0.02     0.29   0.01   0.02     0.01   0.04   0.02
    12   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.00  -0.01   0.02
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.05   0.04
    14   1     0.03  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.01   0.11
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.06
    16   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.15  -0.19
    17   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.04  -0.02   0.04
    18   1    -0.00  -0.00  -0.02    -0.00   0.00   0.00     0.17  -0.12  -0.02
    19   1     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.01   0.19  -0.03
    20   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00     0.06  -0.05   0.09
    21   1    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.04   0.33  -0.16
    22   1    -0.02  -0.01   0.01     0.00   0.00  -0.00    -0.32  -0.04   0.25
    23   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.06  -0.05  -0.09
    24   1     0.02   0.01   0.01     0.00   0.00   0.00    -0.32  -0.04  -0.25
    25   1     0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.04   0.33   0.16
    26   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.04  -0.02  -0.04
    27   1    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.01   0.19   0.03
    28   1     0.00   0.00  -0.02    -0.00   0.00  -0.00     0.17  -0.12   0.02
    29   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.05   0.06
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.15   0.19
    31   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.05  -0.04
    32   1    -0.03   0.00  -0.00    -0.01  -0.00   0.00     0.00   0.01  -0.11
    33   6     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.01  -0.02
    34   6    -0.06  -0.00   0.00    -0.05  -0.00   0.00    -0.00   0.04  -0.01
    35   1     0.38   0.02  -0.02     0.29   0.01  -0.02     0.01   0.04  -0.02
    36   6     0.08   0.00  -0.00     0.08   0.00  -0.00     0.00   0.01   0.01
    37   1    -0.43  -0.03   0.02    -0.37  -0.02   0.02    -0.01  -0.05  -0.02
    38   6    -0.07  -0.00   0.01    -0.09  -0.00   0.00     0.00  -0.00   0.03
    39   1     0.39   0.03  -0.03     0.51   0.02  -0.03     0.00  -0.00   0.03
                     43                     44                     45
                      A                      B                      A
 Frequencies --    898.9353               922.0811               923.8041
 Red. masses --      2.1004                 4.6200                 4.5902
 Frc consts  --      1.0000                 2.3144                 2.3080
 IR Inten    --      2.8552                 1.7102                 3.9066
 RamAct Fr= 1--    976.0898                23.5893               286.2471
  Dep-P Fr= 1--      0.2581                 0.7500                 0.1747
  Dep-U Fr= 1--      0.4103                 0.8571                 0.2975
 Alpha2 Fr= 1--     11.3088                 0.0000                 4.1535
 Beta2  Fr= 1--     66.7423                 3.3699                14.1916
 AlphaG Fr= 1--  -1513.0673                -0.0000              -456.8510
 Gamma2 Fr= 1--   -304.3229               489.6356              -384.2458
 Delta2 Fr= 1--     95.7634                 2.7702                33.6809
 Raman1 Fr= 1--    3904.359                 94.357               1144.988
 ROA1   Fr= 1--  -26150.566              47093.662             -35809.811
 CID1   Fr= 1--      -6.698                499.099                -31.275
 Raman2 Fr= 1--     800.907                 40.439                170.299
 ROA2   Fr= 1--   -8069.855              11729.092              -9491.348
 CID2   Fr= 1--     -10.076                290.045                -55.733
 Raman3 Fr= 1--    1601.814                 80.878                340.598
 ROA3   Fr= 1--  -26150.566              47093.662             -35809.811
 CID3   Fr= 1--     -16.326                582.283               -105.138
 RC180  Fr= 1--      -0.179                  0.714                 -0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.01    -0.00   0.01   0.00     0.00  -0.00   0.01
     2   7     0.00  -0.00  -0.00     0.01  -0.02  -0.13     0.01  -0.02  -0.13
     3   7     0.01   0.00  -0.06    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
     4   7    -0.01  -0.00  -0.06    -0.00  -0.01   0.00     0.00   0.01   0.00
     5   7    -0.00   0.00  -0.00     0.01  -0.02   0.13    -0.01   0.02  -0.13
     6   6    -0.00  -0.00  -0.02     0.00   0.14  -0.18     0.01   0.14  -0.18
     7   1     0.01   0.00  -0.01     0.02   0.04  -0.28     0.00   0.03  -0.29
     8   6    -0.00   0.00  -0.01    -0.02   0.13   0.18    -0.02   0.13   0.18
     9   1     0.02  -0.04   0.02    -0.02   0.02   0.25    -0.01   0.02   0.25
    10   6     0.00   0.04   0.01     0.00  -0.14   0.07     0.00  -0.14   0.07
    11   1    -0.03   0.04   0.01     0.02  -0.25  -0.32     0.02  -0.25  -0.32
    12   6    -0.02  -0.00   0.02     0.00  -0.11   0.02     0.00  -0.11   0.01
    13   6     0.04  -0.02   0.03     0.01  -0.01   0.05     0.01  -0.01   0.05
    14   1    -0.17   0.06   0.10    -0.06   0.05   0.13    -0.05   0.06   0.13
    15   6    -0.12  -0.02  -0.05    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.10   0.09  -0.14    -0.01  -0.02   0.01     0.00  -0.00  -0.01
    17   6     0.02  -0.02   0.08     0.01   0.01   0.00    -0.00  -0.00  -0.00
    18   1    -0.01   0.00   0.42    -0.03   0.02   0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.07  -0.19     0.00  -0.03   0.00     0.00   0.00   0.00
    20   6     0.10   0.07  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    21   1     0.08   0.07  -0.27    -0.00  -0.04  -0.00    -0.00  -0.00   0.00
    22   1    -0.14   0.16   0.15     0.02   0.00  -0.01     0.00  -0.01  -0.00
    23   6    -0.10  -0.07  -0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
    24   1     0.14  -0.16   0.15     0.02   0.00   0.01    -0.00   0.01  -0.00
    25   1    -0.08  -0.07  -0.27    -0.00  -0.04   0.00     0.00   0.00   0.00
    26   6    -0.02   0.02   0.08     0.01   0.01  -0.00     0.00   0.00  -0.00
    27   1    -0.01   0.07  -0.19     0.00  -0.03  -0.00    -0.00  -0.00   0.00
    28   1     0.01  -0.00   0.42    -0.03   0.02  -0.02    -0.00   0.00  -0.00
    29   6     0.12   0.02  -0.05    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.10  -0.09  -0.14    -0.01  -0.02  -0.01    -0.00   0.00  -0.01
    31   6    -0.04   0.02   0.03     0.01  -0.01  -0.05    -0.01   0.01   0.05
    32   1     0.17  -0.06   0.10    -0.06   0.05  -0.13     0.05  -0.06   0.13
    33   6     0.02   0.00   0.02     0.00  -0.11  -0.02    -0.00   0.11   0.01
    34   6    -0.00  -0.04   0.01     0.00  -0.14  -0.07    -0.00   0.14   0.07
    35   1     0.03  -0.04   0.01     0.02  -0.25   0.32    -0.02   0.25  -0.32
    36   6     0.00  -0.00  -0.01    -0.02   0.13  -0.18     0.02  -0.13   0.18
    37   1    -0.02   0.04   0.02    -0.02   0.02  -0.25     0.01  -0.02   0.25
    38   6     0.00   0.00  -0.02     0.00   0.14   0.18    -0.01  -0.14  -0.18
    39   1    -0.01  -0.00  -0.01     0.02   0.04   0.28    -0.00  -0.03  -0.29
                     46                     47                     48
                      B                      B                      A
 Frequencies --    943.0352               959.2096               960.7671
 Red. masses --      1.8257                 1.6034                 1.4773
 Frc consts  --      0.9566                 0.8692                 0.8034
 IR Inten    --      6.5759                11.6951                 4.8305
 RamAct Fr= 1--      5.2681                 2.5336               122.9079
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7281
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8427
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0461
 Beta2  Fr= 1--      0.7526                 0.3619                17.2619
 AlphaG Fr= 1--     -0.0000                -0.0000                18.5654
 Gamma2 Fr= 1--     -3.7305                11.0885             -2311.7573
 Delta2 Fr= 1--     -0.5719                 2.2356               -20.9652
 Raman1 Fr= 1--      21.072                 10.134                491.632
 ROA1   Fr= 1--    -376.428               1136.037            -222599.587
 CID1   Fr= 1--     -17.864                112.096               -452.777
 Raman2 Fr= 1--       9.031                  4.343                207.142
 ROA2   Fr= 1--     -84.956                248.240             -55314.453
 CID2   Fr= 1--      -9.407                 57.154               -267.036
 Raman3 Fr= 1--      18.062                  8.687                414.285
 ROA3   Fr= 1--    -376.428               1136.037            -222599.587
 CID3   Fr= 1--     -20.841                130.779               -537.310
 RC180  Fr= 1--       0.714                  0.714                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   7    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   7    -0.01   0.01   0.08     0.03   0.01  -0.03     0.04   0.00   0.00
     4   7    -0.01   0.01  -0.08     0.03   0.01   0.03    -0.04  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
     7   1    -0.02   0.00   0.00    -0.05   0.01   0.00    -0.04   0.00  -0.01
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.04  -0.02    -0.01  -0.04   0.02    -0.01  -0.02   0.01
    10   6    -0.00  -0.03  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
    11   1     0.02  -0.04  -0.05     0.05   0.02  -0.00     0.06  -0.00  -0.02
    12   6     0.01   0.00  -0.01     0.04  -0.00   0.01     0.04  -0.00   0.01
    13   6    -0.04   0.06  -0.01    -0.12  -0.01  -0.00    -0.13  -0.00  -0.01
    14   1     0.18   0.02  -0.04     0.60   0.02   0.09     0.67   0.00   0.07
    15   6     0.05  -0.05   0.01    -0.01  -0.01  -0.00    -0.02   0.00  -0.01
    16   1     0.07   0.15  -0.06    -0.03  -0.14  -0.01    -0.02   0.02  -0.08
    17   6    -0.11  -0.02   0.01     0.01   0.07   0.04    -0.01  -0.01   0.01
    18   1     0.27  -0.19   0.07    -0.14   0.14   0.08     0.02  -0.02   0.06
    19   1    -0.04   0.37   0.10    -0.01  -0.09   0.07    -0.00   0.02  -0.07
    20   6     0.04   0.00  -0.07     0.01  -0.04  -0.01     0.02   0.01   0.00
    21   1     0.05   0.25   0.07     0.01  -0.07  -0.06     0.02   0.01  -0.06
    22   1     0.00  -0.18  -0.16    -0.02  -0.10  -0.04    -0.04   0.03   0.04
    23   6     0.04   0.00   0.07     0.01  -0.04   0.01    -0.02  -0.01   0.00
    24   1     0.00  -0.18   0.16    -0.02  -0.10   0.04     0.04  -0.03   0.04
    25   1     0.05   0.25  -0.07     0.01  -0.07   0.06    -0.02  -0.01  -0.06
    26   6    -0.11  -0.02  -0.01     0.01   0.07  -0.04     0.01   0.01   0.01
    27   1    -0.04   0.37  -0.10    -0.01  -0.09  -0.07     0.00  -0.02  -0.07
    28   1     0.27  -0.19  -0.07    -0.14   0.14  -0.08    -0.02   0.02   0.06
    29   6     0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.02  -0.00  -0.01
    30   1     0.07   0.15   0.06    -0.03  -0.14   0.01     0.02  -0.02  -0.08
    31   6    -0.04   0.06   0.01    -0.12  -0.01   0.00     0.13   0.00  -0.01
    32   1     0.18   0.02   0.04     0.60   0.02  -0.09    -0.67  -0.00   0.07
    33   6     0.01   0.00   0.01     0.04  -0.00  -0.01    -0.04   0.00   0.01
    34   6    -0.00  -0.03   0.01    -0.01   0.02  -0.00     0.01  -0.00  -0.00
    35   1     0.02  -0.04   0.05     0.05   0.02   0.00    -0.06   0.00  -0.02
    36   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   1    -0.01   0.04   0.02    -0.01  -0.04  -0.02     0.01   0.02   0.01
    38   6     0.00   0.00  -0.01     0.01   0.00   0.01    -0.00  -0.00  -0.00
    39   1    -0.02   0.00  -0.00    -0.05   0.01  -0.00     0.04  -0.00  -0.01
                     49                     50                     51
                      B                      B                      A
 Frequencies --    962.9280              1007.2084              1012.3833
 Red. masses --      2.0879                 2.1310                 2.2758
 Frc consts  --      1.1406                 1.2737                 1.3743
 IR Inten    --      3.0803                16.1337                16.0644
 RamAct Fr= 1--      7.2854                27.9826              3076.0498
  Dep-P Fr= 1--      0.7500                 0.7500                 0.4212
  Dep-U Fr= 1--      0.8571                 0.8571                 0.5928
 Alpha2 Fr= 1--      0.0000                 0.0000                21.0835
 Beta2  Fr= 1--      1.0408                 3.9975               303.8989
 AlphaG Fr= 1--     -0.0000                -0.0000             -2318.5881
 Gamma2 Fr= 1--    125.3618              -223.8497             -5249.1736
 Delta2 Fr= 1--      4.9240                 3.1138               102.4845
 Raman1 Fr= 1--      29.142                111.931              12304.199
 ROA1   Fr= 1--   12192.304             -21389.934            -500641.163
 CID1   Fr= 1--     418.381               -191.100                -40.689
 Raman2 Fr= 1--      12.489                 47.970               3646.786
 ROA2   Fr= 1--    2969.292              -5397.304            -126800.043
 CID2   Fr= 1--     237.747               -112.514                -34.770
 Raman3 Fr= 1--      24.979                 95.940               7293.573
 ROA3   Fr= 1--   12192.304             -21389.934            -500641.163
 CID3   Fr= 1--     488.111               -222.950                -68.641
 RC180  Fr= 1--       0.714                  0.714                  0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.00   0.00  -0.00
     2   7    -0.00  -0.01   0.01    -0.01   0.16  -0.01    -0.01   0.17  -0.01
     3   7    -0.02   0.00  -0.04    -0.00   0.01  -0.01    -0.00   0.01   0.00
     4   7    -0.02   0.00   0.04    -0.00   0.01   0.01     0.00  -0.01   0.00
     5   7    -0.00  -0.01  -0.01    -0.01   0.16   0.01     0.01  -0.17  -0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.06   0.05    -0.00  -0.06   0.05
     7   1     0.03   0.02   0.01     0.03  -0.37  -0.24     0.05  -0.35  -0.23
     8   6    -0.00   0.00  -0.01     0.00   0.01   0.00     0.00  -0.00  -0.00
     9   1     0.01  -0.02   0.01    -0.01   0.38  -0.23    -0.01   0.40  -0.25
    10   6     0.01   0.02   0.01     0.01  -0.08  -0.03     0.01  -0.10  -0.04
    11   1    -0.04   0.03   0.04     0.01  -0.10  -0.07     0.01  -0.11  -0.06
    12   6    -0.02  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    13   6     0.07   0.00   0.00    -0.01  -0.02   0.06    -0.01  -0.01   0.07
    14   1    -0.39   0.05   0.02    -0.00   0.07   0.17    -0.01   0.07   0.17
    15   6     0.01  -0.04   0.01    -0.00   0.00  -0.02     0.00  -0.01  -0.03
    16   1     0.01  -0.08   0.03    -0.00  -0.00  -0.03     0.00  -0.00  -0.03
    17   6    -0.03   0.12   0.10     0.00   0.00   0.02     0.00  -0.01   0.00
    18   1    -0.12   0.17   0.21    -0.01   0.01   0.07     0.01  -0.02   0.04
    19   1    -0.04  -0.00   0.23     0.00  -0.02   0.02     0.00  -0.00   0.01
    20   6     0.04  -0.08  -0.07     0.00  -0.01  -0.00     0.00   0.00   0.01
    21   1     0.04   0.00  -0.08     0.00  -0.03  -0.02     0.00   0.01   0.01
    22   1    -0.04  -0.32  -0.18     0.00  -0.02  -0.01    -0.00   0.01   0.01
    23   6     0.04  -0.08   0.07     0.00  -0.01   0.00    -0.00  -0.00   0.01
    24   1    -0.04  -0.32   0.18     0.00  -0.02   0.01     0.00  -0.01   0.01
    25   1     0.04   0.00   0.08     0.00  -0.03   0.02    -0.00  -0.01   0.01
    26   6    -0.03   0.12  -0.10     0.00   0.00  -0.02    -0.00   0.01   0.00
    27   1    -0.04  -0.00  -0.23     0.00  -0.02  -0.02    -0.00   0.00   0.01
    28   1    -0.12   0.17  -0.21    -0.01   0.01  -0.07    -0.01   0.02   0.04
    29   6     0.01  -0.04  -0.01    -0.00   0.00   0.02    -0.00   0.01  -0.03
    30   1     0.01  -0.08  -0.03    -0.00  -0.00   0.03    -0.00   0.00  -0.03
    31   6     0.07   0.00  -0.00    -0.01  -0.02  -0.06     0.01   0.01   0.07
    32   1    -0.39   0.05  -0.02    -0.00   0.07  -0.17     0.01  -0.07   0.17
    33   6    -0.02  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    34   6     0.01   0.02  -0.01     0.01  -0.08   0.03    -0.01   0.10  -0.04
    35   1    -0.04   0.03  -0.04     0.01  -0.10   0.07    -0.01   0.11  -0.06
    36   6    -0.00   0.00   0.01     0.00   0.01  -0.00    -0.00   0.00  -0.00
    37   1     0.01  -0.02  -0.01    -0.01   0.38   0.23     0.01  -0.40  -0.25
    38   6    -0.00  -0.00   0.00    -0.00  -0.06  -0.05     0.00   0.06   0.05
    39   1     0.03   0.02  -0.01     0.03  -0.37   0.24    -0.05   0.35  -0.23
                     52                     53                     54
                      B                      B                      A
 Frequencies --   1061.9465              1063.6222              1064.2156
 Red. masses --      1.4776                 1.5365                 1.3924
 Frc consts  --      0.9818                 1.0241                 0.9291
 IR Inten    --     47.5000                39.5892               146.9072
 RamAct Fr= 1--     64.5723                16.2840              1500.8000
  Dep-P Fr= 1--      0.7500                 0.7500                 0.4021
  Dep-U Fr= 1--      0.8571                 0.8571                 0.5736
 Alpha2 Fr= 1--      0.0000                 0.0000                11.0342
 Beta2  Fr= 1--      9.2246                 2.3263               143.4655
 AlphaG Fr= 1--     -0.0000                -0.0000              -920.7895
 Gamma2 Fr= 1--   1029.1765               725.4162             -3235.4010
 Delta2 Fr= 1--     16.6021                 5.5701                11.5371
 Raman1 Fr= 1--     258.289                 65.136               6003.200
 ROA1   Fr= 1--   99332.214              69818.195            -310229.308
 CID1   Fr= 1--     384.577               1071.883                -51.677
 Raman2 Fr= 1--     110.695                 27.915               1721.586
 ROA2   Fr= 1--   24567.419              17365.427             -77741.920
 CID2   Fr= 1--     221.937                622.072                -45.157
 Raman3 Fr= 1--     221.391                 55.831               3443.173
 ROA3   Fr= 1--   99332.214              69818.195            -310229.308
 CID3   Fr= 1--     448.673               1250.530                -90.100
 RC180  Fr= 1--       0.714                  0.714                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   7     0.00  -0.05  -0.01    -0.00   0.04   0.01     0.00  -0.06  -0.01
     3   7     0.01  -0.01  -0.01     0.01   0.00  -0.01     0.00  -0.01  -0.01
     4   7     0.01  -0.01   0.01     0.01   0.00   0.01    -0.00   0.01  -0.01
     5   7     0.00  -0.05   0.01    -0.00   0.04  -0.01    -0.00   0.06  -0.01
     6   6     0.00   0.01  -0.03    -0.00   0.01   0.02     0.00   0.01  -0.04
     7   1    -0.01   0.05   0.01    -0.00   0.00   0.02    -0.00   0.04  -0.01
     8   6     0.00   0.03  -0.04     0.00  -0.04   0.03     0.00   0.05  -0.05
     9   1    -0.00   0.27  -0.18     0.00  -0.29   0.18    -0.00   0.37  -0.25
    10   6    -0.00  -0.02   0.06     0.00   0.02  -0.05    -0.00  -0.03   0.07
    11   1    -0.03   0.08   0.43     0.02  -0.05  -0.31    -0.03   0.09   0.52
    12   6     0.00  -0.01  -0.02    -0.00   0.00   0.01     0.00  -0.01  -0.02
    13   6    -0.01  -0.01   0.01     0.00  -0.02  -0.01    -0.00   0.00   0.01
    14   1     0.03   0.00   0.03     0.01  -0.04  -0.03     0.02   0.03   0.05
    15   6    -0.02   0.05   0.00    -0.03   0.06  -0.01     0.00   0.00   0.01
    16   1    -0.01   0.20  -0.10    -0.01   0.27  -0.08    -0.00  -0.00  -0.02
    17   6     0.00  -0.04   0.05     0.01  -0.05   0.06    -0.01   0.01   0.01
    18   1     0.05  -0.06   0.24     0.06  -0.07   0.31    -0.00   0.00   0.01
    19   1     0.01   0.01  -0.07     0.01   0.01  -0.06    -0.01   0.01  -0.01
    20   6     0.00   0.01  -0.05     0.00   0.01  -0.06     0.00  -0.01  -0.01
    21   1    -0.00  -0.20  -0.06    -0.00  -0.23  -0.07     0.00  -0.02  -0.03
    22   1     0.07   0.06  -0.05     0.08   0.06  -0.06    -0.01  -0.03  -0.01
    23   6     0.00   0.01   0.05     0.00   0.01   0.06    -0.00   0.01  -0.01
    24   1     0.07   0.06   0.05     0.08   0.06   0.06     0.01   0.03  -0.01
    25   1    -0.00  -0.20   0.06    -0.00  -0.23   0.07    -0.00   0.02  -0.03
    26   6     0.00  -0.04  -0.05     0.01  -0.05  -0.06     0.01  -0.01   0.01
    27   1     0.01   0.01   0.07     0.01   0.01   0.06     0.01  -0.01  -0.01
    28   1     0.05  -0.06  -0.24     0.06  -0.07  -0.31     0.00  -0.00   0.01
    29   6    -0.02   0.05  -0.00    -0.03   0.06   0.01    -0.00  -0.00   0.01
    30   1    -0.01   0.20   0.10    -0.01   0.27   0.08     0.00   0.00  -0.02
    31   6    -0.01  -0.01  -0.01     0.00  -0.02   0.01     0.00  -0.00   0.01
    32   1     0.03   0.00  -0.03     0.01  -0.04   0.03    -0.02  -0.03   0.05
    33   6     0.00  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01  -0.02
    34   6    -0.00  -0.02  -0.06     0.00   0.02   0.05     0.00   0.03   0.07
    35   1    -0.03   0.08  -0.43     0.02  -0.05   0.31     0.03  -0.09   0.52
    36   6     0.00   0.03   0.04     0.00  -0.04  -0.03    -0.00  -0.05  -0.05
    37   1    -0.00   0.27   0.18     0.00  -0.29  -0.18     0.00  -0.37  -0.25
    38   6     0.00   0.01   0.03    -0.00   0.01  -0.02    -0.00  -0.01  -0.04
    39   1    -0.01   0.05  -0.01    -0.00   0.00  -0.02     0.00  -0.04  -0.01
                     55                     56                     57
                      A                      A                      B
 Frequencies --   1074.1941              1078.4917              1100.5498
 Red. masses --      4.0317                 1.7311                 1.9122
 Frc consts  --      2.7409                 1.1863                 1.3646
 IR Inten    --     12.6541                 0.6377                 5.8839
 RamAct Fr= 1--  10628.8787                45.3717                32.9610
  Dep-P Fr= 1--      0.3023                 0.1495                 0.7500
  Dep-U Fr= 1--      0.4643                 0.2601                 0.8571
 Alpha2 Fr= 1--    108.2638                 0.7023                 0.0000
 Beta2  Fr= 1--    822.4297                 1.9671                 4.7087
 AlphaG Fr= 1-- -12036.9518               -18.2287                -0.0000
 Gamma2 Fr= 1-- -14872.5438               -38.2049               273.3372
 Delta2 Fr= 1--    653.5310                -6.1509                -2.5694
 Raman1 Fr= 1--   42515.515                181.487                131.844
 ROA1   Fr= 1---1406851.211              -3864.495              26158.152
 CID1   Fr= 1--     -33.090                -21.294                198.403
 Raman2 Fr= 1--    9869.156                 23.605                 56.505
 ROA2   Fr= 1-- -362169.299               -867.710               6580.649
 CID2   Fr= 1--     -36.697                -36.760                116.462
 Raman3 Fr= 1--   19738.312                 47.210                113.009
 ROA3   Fr= 1---1406851.211              -3864.495              26158.152
 CID3   Fr= 1--     -71.275                -81.858                231.470
 RC180  Fr= 1--      -0.071                 -0.480                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   7    -0.00   0.05   0.00     0.00  -0.01  -0.00    -0.00   0.05  -0.00
     3   7     0.04   0.02  -0.16     0.00   0.00   0.01     0.03   0.01  -0.07
     4   7    -0.04  -0.02  -0.16    -0.00  -0.00   0.01     0.03   0.01   0.07
     5   7     0.00  -0.05   0.00    -0.00   0.01  -0.00    -0.00   0.05   0.00
     6   6    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.04  -0.01
     7   1     0.01  -0.05  -0.06    -0.00   0.02   0.01    -0.01   0.09   0.04
     8   6     0.00  -0.01   0.01     0.00   0.00  -0.00     0.00  -0.04  -0.02
     9   1     0.01  -0.09   0.05     0.00   0.03  -0.02     0.01  -0.12   0.03
    10   6    -0.00   0.03  -0.00    -0.00  -0.01   0.01     0.00  -0.02   0.00
    11   1    -0.01   0.05   0.08    -0.00   0.00   0.05    -0.01   0.02   0.17
    12   6     0.00  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    13   6     0.00  -0.12   0.01     0.00  -0.01   0.00    -0.00  -0.06   0.02
    14   1     0.01  -0.04   0.11     0.00  -0.04  -0.04     0.01  -0.00   0.09
    15   6    -0.02   0.22   0.12     0.02   0.05  -0.00    -0.03   0.08   0.08
    16   1     0.01   0.33   0.13     0.02   0.06   0.02    -0.05  -0.16   0.27
    17   6     0.01  -0.01   0.10     0.03  -0.06  -0.06    -0.00  -0.06   0.00
    18   1    -0.02   0.00  -0.28     0.04  -0.06  -0.26     0.05  -0.09  -0.20
    19   1     0.02   0.02   0.23     0.04  -0.01  -0.11     0.02   0.04   0.35
    20   6    -0.02  -0.08  -0.07    -0.00   0.14   0.05    -0.01   0.02  -0.06
    21   1    -0.01  -0.14  -0.04     0.01   0.24   0.21     0.02   0.23   0.19
    22   1     0.06   0.20   0.06     0.09   0.46   0.22     0.08  -0.08  -0.15
    23   6     0.02   0.08  -0.07     0.00  -0.14   0.05    -0.01   0.02   0.06
    24   1    -0.06  -0.20   0.06    -0.09  -0.46   0.22     0.08  -0.08   0.15
    25   1     0.01   0.14  -0.04    -0.01  -0.24   0.21     0.02   0.23  -0.19
    26   6    -0.01   0.01   0.10    -0.03   0.06  -0.06    -0.00  -0.06  -0.00
    27   1    -0.02  -0.02   0.23    -0.04   0.01  -0.11     0.02   0.04  -0.35
    28   1     0.02  -0.00  -0.28    -0.04   0.06  -0.26     0.05  -0.09   0.20
    29   6     0.02  -0.22   0.12    -0.02  -0.05  -0.00    -0.03   0.08  -0.08
    30   1    -0.01  -0.33   0.13    -0.02  -0.06   0.02    -0.05  -0.16  -0.27
    31   6    -0.00   0.12   0.01    -0.00   0.01   0.00    -0.00  -0.06  -0.02
    32   1    -0.01   0.04   0.11    -0.00   0.04  -0.04     0.01  -0.00  -0.09
    33   6    -0.00   0.03  -0.01     0.00  -0.00  -0.00     0.00  -0.02   0.01
    34   6     0.00  -0.03  -0.00     0.00   0.01   0.01     0.00  -0.02  -0.00
    35   1     0.01  -0.05   0.08     0.00  -0.00   0.05    -0.01   0.02  -0.17
    36   6    -0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.04   0.02
    37   1    -0.01   0.09   0.05    -0.00  -0.03  -0.02     0.01  -0.12  -0.03
    38   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    39   1    -0.01   0.05  -0.06     0.00  -0.02   0.01    -0.01   0.09  -0.04
                     58                     59                     60
                      B                      A                      A
 Frequencies --   1105.1744              1111.4035              1115.5841
 Red. masses --      2.4686                 2.2619                 2.7589
 Frc consts  --      1.7765                 1.6461                 2.0230
 IR Inten    --      1.6981                 2.1472                15.9117
 RamAct Fr= 1--     37.1779              2826.7856              3155.2258
  Dep-P Fr= 1--      0.7500                 0.4970                 0.2493
  Dep-U Fr= 1--      0.8571                 0.6640                 0.3991
 Alpha2 Fr= 1--      0.0000                14.1564                37.4678
 Beta2  Fr= 1--      5.3111               312.8213               209.8820
 AlphaG Fr= 1--     -0.0000             -1685.8845             -4151.9357
 Gamma2 Fr= 1--    684.1191             -4748.0494             -4198.6212
 Delta2 Fr= 1--     35.9093                39.7371               322.0089
 Raman1 Fr= 1--     148.712              11307.142              12620.903
 ROA1   Fr= 1--   66824.531            -454541.151            -392763.353
 CID1   Fr= 1--     449.356                -40.199                -31.120
 Raman2 Fr= 1--      63.734               3753.855               2518.584
 ROA2   Fr= 1--   16131.584            -114271.082            -103342.980
 CID2   Fr= 1--     253.110                -30.441                -41.032
 Raman3 Fr= 1--     127.467               7507.710               5037.168
 ROA3   Fr= 1--   66824.531            -454541.151            -392763.353
 CID3   Fr= 1--     524.249                -60.543                -77.973
 RC180  Fr= 1--       0.714                  0.328                 -0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   7    -0.00   0.10  -0.01    -0.00   0.10  -0.00     0.00   0.00   0.00
     3   7    -0.02   0.00   0.04     0.00   0.01  -0.01     0.03   0.01  -0.10
     4   7    -0.02   0.00  -0.04    -0.00  -0.01  -0.01    -0.03  -0.01  -0.10
     5   7    -0.00   0.10   0.01     0.00  -0.10  -0.00    -0.00  -0.00   0.00
     6   6    -0.01   0.12  -0.00    -0.00   0.13  -0.01     0.00  -0.04  -0.00
     7   1    -0.03   0.38   0.23    -0.04   0.36   0.19     0.02  -0.17  -0.12
     8   6     0.01  -0.11  -0.06     0.01  -0.11  -0.06    -0.00   0.03   0.02
     9   1     0.01  -0.25   0.01     0.01  -0.32   0.06    -0.00   0.05   0.02
    10   6     0.01  -0.11  -0.00     0.00  -0.09  -0.00    -0.00   0.05   0.00
    11   1    -0.01  -0.04   0.29    -0.02  -0.01   0.33    -0.00   0.05  -0.02
    12   6     0.00  -0.00  -0.02     0.00  -0.02  -0.02     0.00  -0.03   0.00
    13   6    -0.00   0.01   0.04    -0.00  -0.02   0.04    -0.00  -0.06  -0.01
    14   1    -0.03   0.10   0.15    -0.01   0.10   0.18     0.03   0.04   0.10
    15   6     0.02  -0.05  -0.05    -0.01  -0.03   0.02    -0.06  -0.08   0.16
    16   1     0.03   0.04  -0.09    -0.01  -0.06   0.07    -0.07  -0.27   0.32
    17   6     0.00   0.03  -0.01     0.01   0.00  -0.03     0.01   0.03  -0.10
    18   1    -0.03   0.05   0.07    -0.01   0.01   0.06    -0.07   0.08   0.10
    19   1    -0.01  -0.02  -0.13     0.00  -0.02  -0.04    -0.01  -0.03  -0.23
    20   6     0.00  -0.01   0.04    -0.01   0.02   0.01    -0.03   0.07   0.03
    21   1    -0.01  -0.06  -0.07    -0.01   0.03   0.04    -0.02   0.10   0.13
    22   1    -0.05   0.02   0.07     0.01  -0.07  -0.05     0.04  -0.22  -0.17
    23   6     0.00  -0.01  -0.04     0.01  -0.02   0.01     0.03  -0.07   0.03
    24   1    -0.05   0.02  -0.07    -0.01   0.07  -0.05    -0.04   0.22  -0.17
    25   1    -0.01  -0.06   0.07     0.01  -0.03   0.04     0.02  -0.10   0.13
    26   6     0.00   0.03   0.01    -0.01  -0.00  -0.03    -0.01  -0.03  -0.10
    27   1    -0.01  -0.02   0.13    -0.00   0.02  -0.04     0.01   0.03  -0.23
    28   1    -0.03   0.05  -0.07     0.01  -0.01   0.06     0.07  -0.08   0.10
    29   6     0.02  -0.05   0.05     0.01   0.03   0.02     0.06   0.08   0.16
    30   1     0.03   0.04   0.09     0.01   0.06   0.07     0.07   0.27   0.32
    31   6    -0.00   0.01  -0.04     0.00   0.02   0.04     0.00   0.06  -0.01
    32   1    -0.03   0.10  -0.15     0.01  -0.10   0.18    -0.03  -0.04   0.10
    33   6     0.00  -0.00   0.02    -0.00   0.02  -0.02    -0.00   0.03   0.00
    34   6     0.01  -0.11   0.00    -0.00   0.09  -0.00     0.00  -0.05   0.00
    35   1    -0.01  -0.04  -0.29     0.02   0.01   0.33     0.00  -0.05  -0.02
    36   6     0.01  -0.11   0.06    -0.01   0.11  -0.06     0.00  -0.03   0.02
    37   1     0.01  -0.25  -0.01    -0.01   0.32   0.06     0.00  -0.05   0.02
    38   6    -0.01   0.12   0.00     0.00  -0.13  -0.01    -0.00   0.04  -0.00
    39   1    -0.03   0.38  -0.23     0.04  -0.36   0.19    -0.02   0.17  -0.12
                     61                     62                     63
                      A                      B                      A
 Frequencies --   1153.1932              1174.2867              1230.0317
 Red. masses --      2.4488                 2.0806                 1.4807
 Frc consts  --      1.9187                 1.6904                 1.3199
 IR Inten    --     11.1596                 1.8121                 3.7457
 RamAct Fr= 1--    635.6761                 5.2054                36.7052
  Dep-P Fr= 1--      0.2368                 0.7500                 0.5554
  Dep-U Fr= 1--      0.3829                 0.8571                 0.7141
 Alpha2 Fr= 1--      7.8151                 0.0000                 0.1361
 Beta2  Fr= 1--     40.5709                 0.7436                 4.3687
 AlphaG Fr= 1--   -344.5794                -0.0000                41.9932
 Gamma2 Fr= 1--  -1297.9261               254.0574              -141.1130
 Delta2 Fr= 1--     23.5891                 8.8645               -12.8726
 Raman1 Fr= 1--    2542.704                 20.821                146.821
 ROA1   Fr= 1-- -123846.057              24673.174             -13958.772
 CID1   Fr= 1--     -48.706               1184.989                -95.074
 Raman2 Fr= 1--     486.850                  8.923                 52.425
 ROA2   Fr= 1--  -31338.940               6026.462              -3283.732
 CID2   Fr= 1--     -64.371                675.350                -62.637
 Raman3 Fr= 1--     973.701                 17.847                104.850
 ROA3   Fr= 1-- -123846.057              24673.174             -13958.772
 CID3   Fr= 1--    -127.191               1382.488               -133.131
 RC180  Fr= 1--      -0.234                  0.714                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   7     0.00  -0.02  -0.01    -0.00   0.02   0.02    -0.00   0.01   0.04
     3   7     0.02   0.00   0.03     0.02   0.00  -0.06    -0.00  -0.02   0.02
     4   7    -0.02  -0.00   0.03     0.02   0.00   0.06     0.00   0.02   0.02
     5   7    -0.00   0.02  -0.01    -0.00   0.02  -0.02     0.00  -0.01   0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
     7   1    -0.01   0.02   0.02     0.01  -0.10  -0.10     0.02  -0.16  -0.16
     8   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.02  -0.00
     9   1     0.00   0.06  -0.03     0.00  -0.11   0.07     0.00  -0.14   0.09
    10   6    -0.00  -0.00   0.00    -0.00   0.03  -0.01     0.00   0.02  -0.02
    11   1     0.00  -0.01  -0.01    -0.01   0.06   0.10    -0.01   0.06   0.14
    12   6    -0.00   0.01   0.01     0.00  -0.04  -0.01     0.00  -0.05  -0.02
    13   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.02    -0.00   0.03  -0.02
    14   1     0.06  -0.04  -0.04    -0.00   0.17   0.19    -0.00   0.18   0.15
    15   6    -0.14   0.02  -0.08     0.03  -0.06   0.17    -0.05  -0.06  -0.01
    16   1    -0.12   0.10   0.09     0.06   0.15   0.18    -0.07  -0.24  -0.03
    17   6     0.14  -0.02   0.01    -0.06   0.03  -0.03     0.00   0.05   0.03
    18   1    -0.16   0.12   0.12     0.02  -0.00  -0.01    -0.08   0.08  -0.29
    19   1     0.10  -0.34   0.24    -0.06   0.14  -0.46    -0.02  -0.04  -0.03
    20   6    -0.13   0.01  -0.01     0.00   0.01   0.01    -0.02  -0.05  -0.01
    21   1    -0.10  -0.13   0.27    -0.01  -0.16  -0.13    -0.03  -0.11  -0.03
    22   1     0.18  -0.05  -0.16    -0.02   0.03   0.03     0.02   0.33   0.19
    23   6     0.13  -0.01  -0.01     0.00   0.01  -0.01     0.02   0.05  -0.01
    24   1    -0.18   0.05  -0.16    -0.02   0.03  -0.03    -0.02  -0.33   0.19
    25   1     0.10   0.13   0.27    -0.01  -0.16   0.13     0.03   0.11  -0.03
    26   6    -0.14   0.02   0.01    -0.06   0.03   0.03    -0.00  -0.05   0.03
    27   1    -0.10   0.34   0.24    -0.06   0.14   0.46     0.02   0.04  -0.03
    28   1     0.16  -0.12   0.12     0.02  -0.00   0.01     0.08  -0.08  -0.29
    29   6     0.14  -0.02  -0.08     0.03  -0.06  -0.17     0.05   0.06  -0.01
    30   1     0.12  -0.10   0.09     0.06   0.15  -0.18     0.07   0.24  -0.03
    31   6     0.00  -0.01  -0.00    -0.00  -0.01   0.02     0.00  -0.03  -0.02
    32   1    -0.06   0.04  -0.04    -0.00   0.17  -0.19     0.00  -0.18   0.15
    33   6     0.00  -0.01   0.01     0.00  -0.04   0.01    -0.00   0.05  -0.02
    34   6     0.00   0.00   0.00    -0.00   0.03   0.01    -0.00  -0.02  -0.02
    35   1    -0.00   0.01  -0.01    -0.01   0.06  -0.10     0.01  -0.06   0.14
    36   6    -0.00  -0.00   0.00    -0.00   0.01   0.00     0.00  -0.02  -0.00
    37   1    -0.00  -0.06  -0.03     0.00  -0.11  -0.07    -0.00   0.14   0.09
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    39   1     0.01  -0.02   0.02     0.01  -0.10   0.10    -0.02   0.16  -0.16
                     64                     65                     66
                      B                      A                      A
 Frequencies --   1231.3838              1241.1498              1269.4838
 Red. masses --      1.6074                 1.5040                 1.3489
 Frc consts  --      1.4360                 1.3651                 1.2808
 IR Inten    --      0.9850                 6.4924                58.7724
 RamAct Fr= 1--     92.1740                83.7403                53.6752
  Dep-P Fr= 1--      0.7500                 0.1196                 0.1275
  Dep-U Fr= 1--      0.8571                 0.2137                 0.2262
 Alpha2 Fr= 1--      0.0000                 1.3969                 0.8780
 Beta2  Fr= 1--     13.1677                 2.9826                 2.0238
 AlphaG Fr= 1--     -0.0000              -132.6315                44.2770
 Gamma2 Fr= 1--   1764.4304              -436.9047                85.2997
 Delta2 Fr= 1--     24.6273                15.0864               -14.8948
 Raman1 Fr= 1--     368.696                334.961                214.701
 ROA1   Fr= 1--  170173.390             -41460.084               7712.134
 CID1   Fr= 1--     461.555               -123.776                 35.920
 Raman2 Fr= 1--     158.013                 35.791                 24.286
 ROA2   Fr= 1--   42149.310             -10606.403               2166.350
 CID2   Fr= 1--     266.747               -296.344                 89.203
 Raman3 Fr= 1--     316.025                 71.582                 48.571
 ROA3   Fr= 1--  170173.390             -41460.084               7712.134
 CID3   Fr= 1--     538.481               -579.200                158.780
 RC180  Fr= 1--       0.714                 -0.573                 -0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   7     0.01  -0.01  -0.08     0.00  -0.01  -0.06    -0.00   0.00   0.00
     3   7     0.01   0.02  -0.05     0.01   0.01  -0.04     0.01   0.01   0.01
     4   7     0.01   0.02   0.05    -0.01  -0.01  -0.04    -0.01  -0.01   0.01
     5   7     0.01  -0.01   0.08    -0.00   0.01  -0.06     0.00  -0.00   0.00
     6   6    -0.00  -0.02   0.02     0.00  -0.01   0.01    -0.00   0.01  -0.00
     7   1    -0.03   0.30   0.33    -0.03   0.27   0.28     0.01  -0.06  -0.07
     8   6     0.00  -0.04   0.01     0.00  -0.03   0.00     0.00   0.00  -0.01
     9   1    -0.00   0.28  -0.18    -0.00   0.22  -0.15     0.00  -0.02   0.01
    10   6    -0.00  -0.02   0.03    -0.00  -0.02   0.03    -0.00   0.00  -0.01
    11   1     0.02  -0.11  -0.28     0.02  -0.10  -0.25    -0.00   0.02   0.07
    12   6    -0.01   0.07   0.04    -0.00   0.06   0.03    -0.00  -0.02   0.02
    13   6    -0.00  -0.03   0.02    -0.00  -0.02   0.02    -0.00   0.00  -0.00
    14   1     0.01  -0.14  -0.10     0.01  -0.08  -0.05     0.02  -0.05  -0.06
    15   6     0.01  -0.02   0.04    -0.04  -0.04   0.01    -0.06  -0.00  -0.03
    16   1     0.02   0.05   0.16    -0.06  -0.25   0.09    -0.06  -0.09   0.24
    17   6    -0.02   0.01  -0.00    -0.01   0.04   0.01    -0.02  -0.01  -0.03
    18   1     0.01  -0.01   0.01    -0.04   0.05  -0.20     0.02  -0.03  -0.17
    19   1    -0.02   0.05  -0.11    -0.02   0.01   0.02     0.01   0.03   0.50
    20   6     0.00   0.00   0.00     0.00  -0.04  -0.01     0.09   0.00   0.01
    21   1    -0.00  -0.04  -0.03    -0.00  -0.05  -0.04     0.09   0.27  -0.03
    22   1    -0.01  -0.00   0.00    -0.01   0.19   0.13    -0.09  -0.13  -0.00
    23   6     0.00   0.00  -0.00    -0.00   0.04  -0.01    -0.09  -0.00   0.01
    24   1    -0.01  -0.00  -0.00     0.01  -0.19   0.13     0.09   0.13  -0.00
    25   1    -0.00  -0.04   0.03     0.00   0.05  -0.04    -0.09  -0.27  -0.03
    26   6    -0.02   0.01   0.00     0.01  -0.04   0.01     0.02   0.01  -0.03
    27   1    -0.02   0.05   0.11     0.02  -0.01   0.02    -0.01  -0.03   0.50
    28   1     0.01  -0.01  -0.01     0.04  -0.05  -0.20    -0.02   0.03  -0.17
    29   6     0.01  -0.02  -0.04     0.04   0.04   0.01     0.06   0.00  -0.03
    30   1     0.02   0.05  -0.16     0.06   0.25   0.09     0.06   0.09   0.24
    31   6    -0.00  -0.03  -0.02     0.00   0.02   0.02     0.00  -0.00  -0.00
    32   1     0.01  -0.14   0.10    -0.01   0.08  -0.05    -0.02   0.05  -0.06
    33   6    -0.01   0.07  -0.04     0.00  -0.06   0.03     0.00   0.02   0.02
    34   6    -0.00  -0.02  -0.03     0.00   0.02   0.03     0.00  -0.00  -0.01
    35   1     0.02  -0.11   0.28    -0.02   0.10  -0.25     0.00  -0.02   0.07
    36   6     0.00  -0.04  -0.01    -0.00   0.03   0.00    -0.00  -0.00  -0.01
    37   1    -0.00   0.28   0.18     0.00  -0.22  -0.15    -0.00   0.02   0.01
    38   6    -0.00  -0.02  -0.02    -0.00   0.01   0.01     0.00  -0.01  -0.00
    39   1    -0.03   0.30  -0.33     0.03  -0.27   0.28    -0.01   0.06  -0.07
                     67                     68                     69
                      B                      B                      A
 Frequencies --   1270.9014              1291.2566              1297.8477
 Red. masses --      1.2804                 1.5055                 1.5203
 Frc consts  --      1.2185                 1.4790                 1.5088
 IR Inten    --     24.1828                88.2474                63.4680
 RamAct Fr= 1--      7.0567               330.4854              1198.6743
  Dep-P Fr= 1--      0.7500                 0.7500                 0.5473
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7074
 Alpha2 Fr= 1--      0.0000                 0.0000                 4.6524
 Beta2  Fr= 1--      1.0081                47.2122               141.3311
 AlphaG Fr= 1--     -0.0000                -0.0000             -1085.0402
 Gamma2 Fr= 1--    126.5677              1599.7083             -2604.7426
 Delta2 Fr= 1--      8.9824                57.7689               -98.5391
 Raman1 Fr= 1--      28.227               1321.942               4794.697
 ROA1   Fr= 1--   12437.937             155420.600            -253208.545
 CID1   Fr= 1--     440.646                117.570                -52.810
 Raman2 Fr= 1--      12.097                566.546               1695.973
 ROA2   Fr= 1--    2965.765              37930.848             -61725.511
 CID2   Fr= 1--     245.163                 66.951                -36.395
 Raman3 Fr= 1--      24.194               1133.093               3391.946
 ROA3   Fr= 1--   12437.937             155420.600            -253208.545
 CID3   Fr= 1--     514.087                137.165                -74.650
 RC180  Fr= 1--       0.714                  0.714                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     2   7     0.00  -0.00  -0.01     0.00  -0.01  -0.03     0.00  -0.02  -0.05
     3   7     0.02   0.01   0.01    -0.00  -0.07   0.01     0.00  -0.06   0.02
     4   7     0.02   0.01  -0.01    -0.00  -0.07  -0.01    -0.00   0.06   0.02
     5   7     0.00  -0.00   0.01     0.00  -0.01   0.03    -0.00   0.02  -0.05
     6   6    -0.00   0.01   0.01     0.00  -0.05   0.03    -0.00  -0.04   0.04
     7   1     0.00  -0.03  -0.02    -0.02   0.14   0.22    -0.02   0.13   0.21
     8   6    -0.00  -0.00   0.01    -0.00   0.01   0.04    -0.00   0.01   0.05
     9   1     0.00   0.02  -0.00    -0.00   0.04   0.03    -0.00   0.06   0.03
    10   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.02
    11   1    -0.00   0.03   0.05     0.01  -0.01  -0.11     0.00   0.02  -0.05
    12   6    -0.00  -0.01   0.01     0.00   0.03  -0.08     0.00   0.02  -0.08
    13   6     0.00  -0.01  -0.01     0.00   0.01  -0.02     0.00  -0.00  -0.02
    14   1     0.02   0.00   0.00    -0.03   0.40   0.43    -0.03   0.41   0.45
    15   6    -0.03  -0.02  -0.01    -0.01   0.02   0.02    -0.00   0.01   0.01
    16   1     0.03   0.35   0.21    -0.02   0.02  -0.17     0.01   0.11  -0.01
    17   6     0.05   0.01  -0.05     0.02  -0.01  -0.00     0.01  -0.01  -0.01
    18   1    -0.05   0.05   0.32    -0.02   0.01  -0.03     0.01  -0.01  -0.04
    19   1     0.04  -0.11  -0.04     0.02  -0.04   0.04     0.01  -0.01   0.12
    20   6    -0.04  -0.01   0.04    -0.01  -0.00  -0.01     0.02   0.01   0.00
    21   1    -0.03   0.27   0.22    -0.00   0.08   0.07     0.02   0.09   0.01
    22   1    -0.04  -0.24  -0.10     0.02  -0.02  -0.03    -0.01  -0.06  -0.03
    23   6    -0.04  -0.01  -0.04    -0.01  -0.00   0.01    -0.02  -0.01   0.00
    24   1    -0.04  -0.24   0.10     0.02  -0.02   0.03     0.01   0.06  -0.03
    25   1    -0.03   0.27  -0.22    -0.00   0.08  -0.07    -0.02  -0.09   0.01
    26   6     0.05   0.01   0.05     0.02  -0.01   0.00    -0.01   0.01  -0.01
    27   1     0.04  -0.11   0.04     0.02  -0.04  -0.04    -0.01   0.01   0.12
    28   1    -0.05   0.05  -0.32    -0.02   0.01   0.03    -0.01   0.01  -0.04
    29   6    -0.03  -0.02   0.01    -0.01   0.02  -0.02     0.00  -0.01   0.01
    30   1     0.03   0.35  -0.21    -0.02   0.02   0.17    -0.01  -0.11  -0.01
    31   6     0.00  -0.01   0.01     0.00   0.01   0.02    -0.00   0.00  -0.02
    32   1     0.02   0.00  -0.00    -0.03   0.40  -0.43     0.03  -0.41   0.45
    33   6    -0.00  -0.01  -0.01     0.00   0.03   0.08    -0.00  -0.02  -0.08
    34   6    -0.00   0.01   0.01    -0.00   0.01   0.00     0.00  -0.03  -0.02
    35   1    -0.00   0.03  -0.05     0.01  -0.01   0.11    -0.00  -0.02  -0.05
    36   6    -0.00  -0.00  -0.01    -0.00   0.01  -0.04     0.00  -0.01   0.05
    37   1     0.00   0.02   0.00    -0.00   0.04  -0.03     0.00  -0.06   0.03
    38   6    -0.00   0.01  -0.01     0.00  -0.05  -0.03     0.00   0.04   0.04
    39   1     0.00  -0.03   0.02    -0.02   0.14  -0.22     0.02  -0.13   0.21
                     70                     71                     72
                      B                      A                      B
 Frequencies --   1310.3522              1321.9010              1325.6541
 Red. masses --      2.0136                 4.0998                 1.6353
 Frc consts  --      2.0370                 4.2209                 1.6932
 IR Inten    --     19.9305               249.3073                 0.4718
 RamAct Fr= 1--     11.4228               261.8220                 9.7554
  Dep-P Fr= 1--      0.7500                 0.2498                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3998                 0.8571
 Alpha2 Fr= 1--      0.0000                 3.1048                 0.0000
 Beta2  Fr= 1--      1.6318                17.4440                 1.3936
 AlphaG Fr= 1--     -0.0000              -722.2176                -0.0000
 Gamma2 Fr= 1--   -566.4916             -4730.2598              -199.6186
 Delta2 Fr= 1--    -10.9215               -12.9805                21.7807
 Raman1 Fr= 1--      45.691               1047.288                 39.022
 ROA1   Fr= 1--  -54732.686            -454520.322             -18466.406
 CID1   Fr= 1--   -1197.886               -433.997               -473.234
 Raman2 Fr= 1--      19.582                209.328                 16.724
 ROA2   Fr= 1--  -13508.427            -113422.392              -4965.093
 CID2   Fr= 1--    -689.843               -541.841               -296.891
 Raman3 Fr= 1--      39.164                418.656                 33.447
 ROA3   Fr= 1--  -54732.686            -454520.322             -18466.406
 CID3   Fr= 1--   -1397.533              -1085.666               -552.106
 RC180  Fr= 1--       0.714                 -0.200                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     2   7    -0.01  -0.01   0.10    -0.01  -0.04   0.20     0.00  -0.01  -0.07
     3   7    -0.01  -0.00  -0.02    -0.00  -0.03  -0.03    -0.01   0.00   0.03
     4   7    -0.01  -0.00   0.02     0.00   0.03  -0.03    -0.01   0.00  -0.03
     5   7    -0.01  -0.01  -0.10     0.01   0.04   0.20     0.00  -0.01   0.07
     6   6     0.00  -0.01  -0.06     0.01  -0.03  -0.12    -0.00   0.00   0.05
     7   1     0.00   0.02  -0.04     0.00   0.02  -0.08    -0.00  -0.01   0.05
     8   6     0.00   0.01  -0.03     0.00   0.03  -0.04    -0.00  -0.00   0.04
     9   1     0.00  -0.06   0.01     0.00  -0.12   0.04    -0.00   0.03   0.03
    10   6     0.00  -0.06   0.03     0.00  -0.11   0.05     0.00   0.03  -0.04
    11   1     0.02  -0.12  -0.16     0.02  -0.20  -0.25    -0.01   0.08   0.12
    12   6    -0.00   0.10  -0.05    -0.00   0.19  -0.12     0.00  -0.04  -0.00
    13   6    -0.00  -0.00   0.04    -0.01   0.01   0.06     0.00  -0.01  -0.01
    14   1    -0.00  -0.09  -0.06    -0.00   0.04   0.09    -0.01   0.04   0.05
    15   6     0.04   0.05   0.05    -0.04   0.03   0.04     0.05   0.06  -0.03
    16   1    -0.02  -0.35  -0.16    -0.08  -0.24  -0.31    -0.00  -0.41   0.23
    17   6     0.01  -0.02  -0.02     0.02  -0.01   0.01    -0.05  -0.01  -0.06
    18   1     0.03  -0.02   0.34    -0.03   0.01  -0.14     0.06  -0.06   0.42
    19   1     0.00  -0.01  -0.25     0.02  -0.02   0.08    -0.03   0.08   0.01
    20   6    -0.03   0.01   0.03     0.02   0.02  -0.00     0.01  -0.01   0.03
    21   1    -0.02   0.11   0.11     0.03   0.13   0.03    -0.00  -0.09  -0.08
    22   1    -0.03  -0.20  -0.09     0.00  -0.14  -0.09    -0.04   0.04   0.07
    23   6    -0.03   0.01  -0.03    -0.02  -0.02  -0.00     0.01  -0.01  -0.03
    24   1    -0.03  -0.20   0.09    -0.00   0.14  -0.09    -0.04   0.04  -0.07
    25   1    -0.02   0.11  -0.11    -0.03  -0.13   0.03    -0.00  -0.09   0.08
    26   6     0.01  -0.02   0.02    -0.02   0.01   0.01    -0.05  -0.01   0.06
    27   1     0.00  -0.01   0.25    -0.02   0.02   0.08    -0.03   0.08  -0.01
    28   1     0.03  -0.02  -0.34     0.03  -0.01  -0.14     0.06  -0.06  -0.42
    29   6     0.04   0.05  -0.05     0.04  -0.03   0.04     0.05   0.06   0.03
    30   1    -0.02  -0.35   0.16     0.08   0.24  -0.31    -0.00  -0.41  -0.23
    31   6    -0.00  -0.00  -0.04     0.01  -0.01   0.06     0.00  -0.01   0.01
    32   1    -0.00  -0.09   0.06     0.00  -0.04   0.09    -0.01   0.04  -0.05
    33   6    -0.00   0.10   0.05     0.00  -0.19  -0.12     0.00  -0.04   0.00
    34   6     0.00  -0.06  -0.03    -0.00   0.11   0.05     0.00   0.03   0.04
    35   1     0.02  -0.12   0.16    -0.02   0.20  -0.25    -0.01   0.08  -0.12
    36   6     0.00   0.01   0.03    -0.00  -0.03  -0.04    -0.00  -0.00  -0.04
    37   1     0.00  -0.06  -0.01    -0.00   0.12   0.04    -0.00   0.03  -0.03
    38   6     0.00  -0.01   0.06    -0.01   0.03  -0.12    -0.00   0.00  -0.05
    39   1     0.00   0.02   0.04    -0.00  -0.02  -0.08    -0.00  -0.01  -0.05
                     73                     74                     75
                      B                      A                      B
 Frequencies --   1336.0627              1344.5792              1358.8059
 Red. masses --      1.8797                 1.6247                 2.9826
 Frc consts  --      1.9770                 1.7306                 3.2446
 IR Inten    --      0.1302                23.1500                 2.2392
 RamAct Fr= 1--    123.9291              1014.7927               165.3045
  Dep-P Fr= 1--      0.7500                 0.1778                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3020                 0.8571
 Alpha2 Fr= 1--      0.0000                14.6062                 0.0000
 Beta2  Fr= 1--     17.7042                51.0736                23.6149
 AlphaG Fr= 1--      0.0000                86.6517                -0.0000
 Gamma2 Fr= 1--    626.8200             -1689.4398              4658.2985
 Delta2 Fr= 1--     12.4040                34.3106                85.7217
 Raman1 Fr= 1--     495.716               4059.171                661.218
 ROA1   Fr= 1--   60571.650            -161088.279             449939.756
 CID1   Fr= 1--     122.190                -39.685                680.471
 Raman2 Fr= 1--     212.450                612.884                283.379
 ROA2   Fr= 1--   14944.448             -40821.040             111113.391
 CID2   Fr= 1--      70.343                -66.605                392.101
 Raman3 Fr= 1--     424.900               1225.767                566.758
 ROA3   Fr= 1--   60571.650            -161088.279             449939.756
 CID3   Fr= 1--     142.555               -131.418                793.883
 RC180  Fr= 1--       0.714                 -0.396                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   7    -0.00  -0.05   0.07     0.00  -0.05   0.03    -0.01   0.08   0.04
     3   7     0.02   0.01  -0.01     0.01   0.02   0.00     0.01  -0.06   0.00
     4   7     0.02   0.01   0.01    -0.01  -0.02   0.00     0.01  -0.06  -0.00
     5   7    -0.00  -0.05  -0.07    -0.00   0.05   0.03    -0.01   0.08  -0.04
     6   6     0.00   0.00  -0.04    -0.00   0.01  -0.01     0.00  -0.04  -0.05
     7   1     0.00  -0.03  -0.06     0.00  -0.05  -0.06    -0.01   0.09   0.07
     8   6    -0.00   0.00   0.02    -0.00  -0.00   0.04     0.01   0.02  -0.12
     9   1     0.00  -0.01   0.03    -0.00  -0.00   0.04     0.01  -0.04  -0.10
    10   6     0.00  -0.04  -0.03     0.00  -0.03  -0.06    -0.01   0.02   0.16
    11   1     0.00  -0.04  -0.01    -0.00   0.01   0.08     0.02  -0.11  -0.29
    12   6    -0.00   0.11  -0.07    -0.00   0.08  -0.05    -0.00  -0.09   0.06
    13   6    -0.00  -0.03   0.03    -0.00  -0.03   0.03     0.00   0.05  -0.08
    14   1     0.01   0.04   0.11     0.01  -0.01   0.05     0.01   0.11  -0.02
    15   6    -0.02  -0.03  -0.03     0.02   0.00  -0.04    -0.01   0.01   0.03
    16   1     0.02   0.20   0.40     0.05   0.05   0.48    -0.01   0.06   0.01
    17   6    -0.03   0.01  -0.05    -0.04   0.01  -0.05    -0.01   0.00  -0.10
    18   1    -0.01   0.00   0.06     0.02  -0.01   0.30    -0.02   0.01   0.26
    19   1    -0.02   0.07   0.34    -0.03   0.06   0.05     0.01   0.04   0.40
    20   6     0.03  -0.01   0.01    -0.02  -0.03   0.01     0.02  -0.01   0.02
    21   1     0.02  -0.16  -0.17    -0.03  -0.20  -0.07     0.01  -0.08  -0.13
    22   1    -0.01   0.19   0.15    -0.03   0.22   0.17    -0.01   0.12   0.11
    23   6     0.03  -0.01  -0.01     0.02   0.03   0.01     0.02  -0.01  -0.02
    24   1    -0.01   0.19  -0.15     0.03  -0.22   0.17    -0.01   0.12  -0.11
    25   1     0.02  -0.16   0.17     0.03   0.20  -0.07     0.01  -0.08   0.13
    26   6    -0.03   0.01   0.05     0.04  -0.01  -0.05    -0.01   0.00   0.10
    27   1    -0.02   0.07  -0.34     0.03  -0.06   0.05     0.01   0.04  -0.40
    28   1    -0.01   0.00  -0.06    -0.02   0.01   0.30    -0.02   0.01  -0.26
    29   6    -0.02  -0.03   0.03    -0.02  -0.00  -0.04    -0.01   0.01  -0.03
    30   1     0.02   0.20  -0.40    -0.05  -0.05   0.48    -0.01   0.06  -0.01
    31   6    -0.00  -0.03  -0.03     0.00   0.03   0.03     0.00   0.05   0.08
    32   1     0.01   0.04  -0.11    -0.01   0.01   0.05     0.01   0.11   0.02
    33   6    -0.00   0.11   0.07     0.00  -0.08  -0.05    -0.00  -0.09  -0.06
    34   6     0.00  -0.04   0.03    -0.00   0.03  -0.06    -0.01   0.02  -0.16
    35   1     0.00  -0.04   0.01     0.00  -0.01   0.08     0.02  -0.11   0.29
    36   6    -0.00   0.00  -0.02     0.00   0.00   0.04     0.01   0.02   0.12
    37   1     0.00  -0.01  -0.03     0.00   0.00   0.04     0.01  -0.04   0.10
    38   6     0.00   0.00   0.04     0.00  -0.01  -0.01     0.00  -0.04   0.05
    39   1     0.00  -0.03   0.06    -0.00   0.05  -0.06    -0.01   0.09  -0.07
                     76                     77                     78
                      A                      A                      B
 Frequencies --   1362.1861              1375.4313              1378.1486
 Red. masses --      2.0568                 1.4293                 1.4166
 Frc consts  --      2.2486                 1.5931                 1.5853
 IR Inten    --      6.6568                15.2305                 1.9715
 RamAct Fr= 1--    355.4916                93.8164                 2.2078
  Dep-P Fr= 1--      0.1480                 0.4623                 0.7500
  Dep-U Fr= 1--      0.2578                 0.6323                 0.8571
 Alpha2 Fr= 1--      5.5239                 0.5470                 0.0000
 Beta2  Fr= 1--     15.2738                 9.8861                 0.3154
 AlphaG Fr= 1--   -570.5133                61.7276                -0.0000
 Gamma2 Fr= 1--  -2105.3020              -906.8940               -70.5970
 Delta2 Fr= 1--     -9.2000               -18.2650                -1.7924
 Raman1 Fr= 1--    1421.967                375.266                  8.831
 ROA1   Fr= 1-- -202403.396             -87646.302              -6834.667
 CID1   Fr= 1--    -142.340               -233.558               -773.923
 Raman2 Fr= 1--     183.286                118.634                  3.785
 ROA2   Fr= 1--  -50453.649             -21619.335              -1679.988
 CID2   Fr= 1--    -275.273               -182.236               -443.878
 Raman3 Fr= 1--     366.572                237.267                  7.570
 ROA3   Fr= 1-- -202403.396             -87646.302              -6834.667
 CID3   Fr= 1--    -552.151               -369.399               -902.910
 RC180  Fr= 1--      -0.484                  0.265                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   7    -0.00   0.05   0.05    -0.00   0.02   0.03    -0.00   0.00   0.01
     3   7     0.01  -0.03  -0.01     0.01  -0.02   0.01     0.00  -0.00  -0.00
     4   7    -0.01   0.03  -0.01    -0.01   0.02   0.01     0.00  -0.00   0.00
     5   7     0.00  -0.05   0.05     0.00  -0.02   0.03    -0.00   0.00  -0.01
     6   6     0.00  -0.03  -0.05     0.00  -0.01  -0.03     0.00   0.00  -0.01
     7   1    -0.01   0.06   0.03    -0.00   0.02   0.00     0.00  -0.00  -0.01
     8   6     0.00   0.01  -0.08     0.00   0.01  -0.04     0.00  -0.00  -0.01
     9   1     0.00  -0.02  -0.08     0.00  -0.01  -0.03     0.00   0.00  -0.01
    10   6    -0.01   0.01   0.12    -0.00   0.00   0.05    -0.00  -0.00   0.01
    11   1     0.02  -0.09  -0.23     0.01  -0.04  -0.10     0.00  -0.01  -0.03
    12   6    -0.00  -0.04   0.03    -0.00  -0.01   0.01    -0.00   0.00   0.00
    13   6     0.00   0.02  -0.06     0.00   0.01  -0.03     0.00   0.00  -0.01
    14   1     0.01   0.11   0.04     0.01   0.08   0.05     0.00   0.02   0.01
    15   6     0.01  -0.06   0.03     0.01   0.02  -0.05     0.01  -0.00  -0.01
    16   1     0.08   0.42   0.08     0.04   0.04   0.40     0.01  -0.04   0.10
    17   6    -0.01   0.02  -0.07    -0.00   0.01   0.06     0.00   0.03   0.02
    18   1    -0.00   0.02   0.11     0.05  -0.02   0.02    -0.03   0.04   0.10
    19   1    -0.00   0.00   0.27    -0.02  -0.04  -0.33    -0.01   0.00  -0.18
    20   6    -0.00   0.01   0.02     0.00  -0.06  -0.03    -0.02  -0.09  -0.09
    21   1    -0.02  -0.21  -0.12     0.03   0.37   0.20     0.01   0.31   0.24
    22   1    -0.01   0.14   0.11    -0.01  -0.03  -0.01     0.05   0.47   0.21
    23   6     0.00  -0.01   0.02    -0.00   0.06  -0.03    -0.02  -0.09   0.09
    24   1     0.01  -0.14   0.11     0.01   0.03  -0.01     0.05   0.47  -0.21
    25   1     0.02   0.21  -0.12    -0.03  -0.37   0.20     0.01   0.31  -0.24
    26   6     0.01  -0.02  -0.07     0.00  -0.01   0.06     0.00   0.03  -0.02
    27   1     0.00  -0.00   0.27     0.02   0.04  -0.33    -0.01   0.00   0.18
    28   1     0.00  -0.02   0.11    -0.05   0.02   0.02    -0.03   0.04  -0.10
    29   6    -0.01   0.06   0.03    -0.01  -0.02  -0.05     0.01  -0.00   0.01
    30   1    -0.08  -0.42   0.08    -0.04  -0.04   0.40     0.01  -0.04  -0.10
    31   6    -0.00  -0.02  -0.06    -0.00  -0.01  -0.03     0.00   0.00   0.01
    32   1    -0.01  -0.11   0.04    -0.01  -0.08   0.05     0.00   0.02  -0.01
    33   6     0.00   0.04   0.03     0.00   0.01   0.01    -0.00   0.00  -0.00
    34   6     0.01  -0.01   0.12     0.00  -0.00   0.05    -0.00  -0.00  -0.01
    35   1    -0.02   0.09  -0.23    -0.01   0.04  -0.10     0.00  -0.01   0.03
    36   6    -0.00  -0.01  -0.08    -0.00  -0.01  -0.04     0.00  -0.00   0.01
    37   1    -0.00   0.02  -0.08    -0.00   0.01  -0.03     0.00   0.00   0.01
    38   6    -0.00   0.03  -0.05    -0.00   0.01  -0.03     0.00   0.00   0.01
    39   1     0.01  -0.06   0.03     0.00  -0.02   0.00     0.00  -0.00   0.01
                     79                     80                     81
                      A                      A                      B
 Frequencies --   1385.5493              1392.5352              1395.9440
 Red. masses --      1.7653                 1.4643                 1.6757
 Frc consts  --      1.9968                 1.6730                 1.9239
 IR Inten    --     29.8732                25.7105                15.2586
 RamAct Fr= 1--     21.4796               176.7861                 5.6421
  Dep-P Fr= 1--      0.1814                 0.1647                 0.7500
  Dep-U Fr= 1--      0.3071                 0.2829                 0.8571
 Alpha2 Fr= 1--      0.3063                 2.6322                 0.0000
 Beta2  Fr= 1--      1.0995                 8.3341                 0.8060
 AlphaG Fr= 1--     34.6101                58.8770                 0.0000
 Gamma2 Fr= 1--    107.6273              -179.5959               164.0963
 Delta2 Fr= 1--    -18.4222               -11.6048                 4.0768
 Raman1 Fr= 1--      85.918                707.144                 22.568
 ROA1   Fr= 1--    9742.710             -17612.558              15883.706
 CID1   Fr= 1--     113.395                -24.907                703.804
 Raman2 Fr= 1--      13.194                100.009                  9.672
 ROA2   Fr= 1--    2730.433              -4217.463               3905.698
 CID2   Fr= 1--     206.948                -42.171                403.808
 Raman3 Fr= 1--      26.388                200.018                 19.344
 ROA3   Fr= 1--    9742.710             -17612.558              15883.706
 CID3   Fr= 1--     369.215                -88.055                821.104
 RC180  Fr= 1--      -0.386                 -0.434                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   7     0.00  -0.03   0.00     0.00   0.01  -0.01    -0.00   0.01   0.03
     3   7     0.00   0.03  -0.02    -0.01  -0.00   0.00     0.01  -0.02   0.02
     4   7    -0.00  -0.03  -0.02     0.01   0.00   0.00     0.01  -0.02  -0.02
     5   7    -0.00   0.03   0.00    -0.00  -0.01  -0.01    -0.00   0.01  -0.03
     6   6    -0.00   0.03   0.00     0.00  -0.01   0.01     0.00  -0.01  -0.03
     7   1     0.01  -0.04  -0.07    -0.00   0.02   0.04    -0.00   0.02   0.00
     8   6    -0.00  -0.03   0.03    -0.00   0.01  -0.01     0.00   0.01  -0.03
     9   1    -0.00   0.05  -0.01    -0.00  -0.03   0.02     0.00   0.00  -0.03
    10   6     0.00  -0.01  -0.05    -0.00   0.00   0.01    -0.00   0.01   0.05
    11   1    -0.00   0.02   0.06    -0.00   0.00   0.01     0.01  -0.04  -0.10
    12   6    -0.00   0.04   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    13   6    -0.00  -0.02   0.03     0.00   0.00  -0.00     0.00  -0.00  -0.04
    14   1     0.00  -0.07  -0.03    -0.01  -0.03  -0.04     0.01   0.13   0.11
    15   6     0.00  -0.13   0.03     0.01   0.04   0.04     0.01   0.03  -0.11
    16   1     0.08   0.52  -0.15    -0.03  -0.18  -0.25     0.02  -0.07   0.50
    17   6     0.02   0.04   0.00     0.01   0.02  -0.07    -0.02  -0.01   0.08
    18   1     0.01   0.04  -0.14    -0.03   0.05   0.41     0.05  -0.05  -0.18
    19   1     0.00  -0.14   0.00     0.01  -0.02   0.14    -0.02  -0.00  -0.30
    20   6     0.01  -0.05  -0.01    -0.00  -0.10  -0.01    -0.00   0.03  -0.00
    21   1     0.03   0.31   0.10     0.01   0.32   0.16    -0.00  -0.07   0.05
    22   1     0.03   0.04   0.03    -0.02   0.19   0.17    -0.06  -0.17  -0.09
    23   6    -0.01   0.05  -0.01     0.00   0.10  -0.01    -0.00   0.03   0.00
    24   1    -0.03  -0.04   0.03     0.02  -0.19   0.17    -0.06  -0.17   0.09
    25   1    -0.03  -0.31   0.10    -0.01  -0.32   0.16    -0.00  -0.07  -0.05
    26   6    -0.02  -0.04   0.00    -0.01  -0.02  -0.07    -0.02  -0.01  -0.08
    27   1    -0.00   0.14   0.00    -0.01   0.02   0.14    -0.02  -0.00   0.30
    28   1    -0.01  -0.04  -0.14     0.03  -0.05   0.41     0.05  -0.05   0.18
    29   6    -0.00   0.13   0.03    -0.01  -0.04   0.04     0.01   0.03   0.11
    30   1    -0.08  -0.52  -0.15     0.03   0.18  -0.25     0.02  -0.07  -0.50
    31   6     0.00   0.02   0.03    -0.00  -0.00  -0.00     0.00  -0.00   0.04
    32   1    -0.00   0.07  -0.03     0.01   0.03  -0.04     0.01   0.13  -0.11
    33   6     0.00  -0.04   0.00    -0.00   0.02  -0.00    -0.00  -0.01  -0.00
    34   6    -0.00   0.01  -0.05     0.00  -0.00   0.01    -0.00   0.01  -0.05
    35   1     0.00  -0.02   0.06     0.00  -0.00   0.01     0.01  -0.04   0.10
    36   6     0.00   0.03   0.03     0.00  -0.01  -0.01     0.00   0.01   0.03
    37   1     0.00  -0.05  -0.01     0.00   0.03   0.02     0.00   0.00   0.03
    38   6     0.00  -0.03   0.00    -0.00   0.01   0.01     0.00  -0.01   0.03
    39   1    -0.01   0.04  -0.07     0.00  -0.02   0.04    -0.00   0.02  -0.00
                     82                     83                     84
                      B                      A                      A
 Frequencies --   1420.9502              1425.6335              1490.8993
 Red. masses --      2.8194                 2.7698                 1.0922
 Frc consts  --      3.3540                 3.3168                 1.4303
 IR Inten    --      0.3991                62.8892                 1.9131
 RamAct Fr= 1--     11.5270               846.7988                18.0437
  Dep-P Fr= 1--      0.7500                 0.5423                 0.1918
  Dep-U Fr= 1--      0.8571                 0.7032                 0.3218
 Alpha2 Fr= 1--      0.0000                 3.3786                 0.2504
 Beta2  Fr= 1--      1.6467                99.2517                 0.9679
 AlphaG Fr= 1--      0.0000              -300.9972               -13.7327
 Gamma2 Fr= 1--    839.1935              -568.7748               -62.6620
 Delta2 Fr= 1--     13.3744                -0.6568                 7.6410
 Raman1 Fr= 1--      46.108               3387.195                 72.175
 ROA1   Fr= 1--   80990.552             -54623.402              -5771.037
 CID1   Fr= 1--    1756.536                -16.126                -79.959
 Raman2 Fr= 1--      19.761               1191.020                 11.614
 ROA2   Fr= 1--   20033.648             -13645.341              -1565.016
 CID2   Fr= 1--    1013.817                -11.457               -134.748
 Raman3 Fr= 1--      39.521               2382.040                 23.229
 ROA3   Fr= 1--   80990.552             -54623.402              -5771.037
 CID3   Fr= 1--    2049.292                -22.931               -248.444
 RC180  Fr= 1--       0.714                  0.406                 -0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   7     0.00   0.04  -0.05     0.00   0.04  -0.05    -0.00   0.00   0.00
     3   7     0.01   0.04  -0.01     0.01   0.04  -0.01    -0.00   0.00   0.00
     4   7     0.01   0.04   0.01    -0.01  -0.04  -0.01     0.00  -0.00   0.00
     5   7     0.00   0.04   0.05    -0.00  -0.04  -0.05     0.00  -0.00   0.00
     6   6     0.00  -0.14   0.04     0.00  -0.15   0.04     0.00  -0.00  -0.00
     7   1    -0.02   0.09   0.30    -0.02   0.11   0.30    -0.00   0.01   0.00
     8   6    -0.01   0.19  -0.05    -0.01   0.19  -0.04    -0.00  -0.00   0.00
     9   1    -0.00  -0.37   0.30    -0.00  -0.35   0.29    -0.00   0.01  -0.00
    10   6     0.00  -0.07   0.01     0.00  -0.07   0.00    -0.00   0.00   0.00
    11   1    -0.01  -0.03   0.18    -0.01  -0.02   0.18     0.00   0.00  -0.00
    12   6     0.00  -0.01  -0.06     0.00  -0.01  -0.05     0.00  -0.00  -0.00
    13   6    -0.01  -0.00   0.06    -0.01  -0.01   0.06     0.00  -0.00  -0.00
    14   1     0.02  -0.18  -0.14     0.02  -0.18  -0.13     0.00   0.00   0.00
    15   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.02  -0.00
    16   1     0.01   0.04   0.08     0.02   0.12   0.07    -0.01  -0.06   0.01
    17   6    -0.00   0.01   0.01    -0.00   0.01   0.01    -0.02   0.03  -0.00
    18   1    -0.00   0.01  -0.02     0.02  -0.00  -0.07     0.31  -0.14   0.01
    19   1    -0.00  -0.00  -0.02    -0.01  -0.04  -0.03    -0.06  -0.32   0.02
    20   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.01   0.04
    21   1     0.00   0.00   0.01     0.00   0.00  -0.01    -0.04   0.14  -0.34
    22   1    -0.00   0.02   0.01     0.01  -0.00  -0.01     0.35   0.05  -0.10
    23   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01   0.04
    24   1    -0.00   0.02  -0.01    -0.01   0.00  -0.01    -0.35  -0.05  -0.10
    25   1     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.04  -0.14  -0.34
    26   6    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.02  -0.03  -0.00
    27   1    -0.00  -0.00   0.02     0.01   0.04  -0.03     0.06   0.32   0.02
    28   1    -0.00   0.01   0.02    -0.02   0.00  -0.07    -0.31   0.14   0.01
    29   6    -0.00  -0.02   0.01     0.00   0.04  -0.01     0.00  -0.02  -0.00
    30   1     0.01   0.04  -0.08    -0.02  -0.12   0.07     0.01   0.06   0.01
    31   6    -0.01  -0.00  -0.06     0.01   0.01   0.06    -0.00   0.00  -0.00
    32   1     0.02  -0.18   0.14    -0.02   0.18  -0.13    -0.00  -0.00   0.00
    33   6     0.00  -0.01   0.06    -0.00   0.01  -0.05    -0.00   0.00  -0.00
    34   6     0.00  -0.07  -0.01    -0.00   0.07   0.00     0.00  -0.00   0.00
    35   1    -0.01  -0.03  -0.18     0.01   0.02   0.18    -0.00  -0.00  -0.00
    36   6    -0.01   0.19   0.05     0.01  -0.19  -0.04     0.00   0.00   0.00
    37   1    -0.00  -0.37  -0.30     0.00   0.35   0.29     0.00  -0.01  -0.00
    38   6     0.00  -0.14  -0.04    -0.00   0.15   0.04    -0.00   0.00  -0.00
    39   1    -0.02   0.09  -0.30     0.02  -0.11   0.30     0.00  -0.01   0.00
                     85                     86                     87
                      B                      B                      B
 Frequencies --   1491.7337              1496.8531              1497.6751
 Red. masses --      1.0900                 1.9319                 1.4913
 Frc consts  --      1.4291                 2.5503                 1.9708
 IR Inten    --      4.5796                48.3260                12.6973
 RamAct Fr= 1--     16.6246                22.4018                10.4253
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      2.3749                 3.2003                 1.4893
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.2521              -605.9473              -241.1596
 Delta2 Fr= 1--      0.3547                -5.6406                -4.4673
 Raman1 Fr= 1--      66.499                 89.607                 41.701
 ROA1   Fr= 1--    -108.851             -58351.438             -23294.278
 CID1   Fr= 1--      -1.637               -651.190               -558.601
 Raman2 Fr= 1--      28.499                 38.403                 17.872
 ROA2   Fr= 1--     -32.888             -14497.610              -5752.092
 CID2   Fr= 1--      -1.154               -377.511               -321.851
 Raman3 Fr= 1--      56.999                 76.806                 35.744
 ROA3   Fr= 1--    -108.851             -58351.438             -23294.278
 CID3   Fr= 1--      -1.910               -759.722               -651.701
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   7    -0.00   0.00   0.00     0.01  -0.05  -0.06    -0.00   0.04   0.04
     3   7     0.00   0.00   0.00     0.00  -0.04  -0.02    -0.00   0.02   0.01
     4   7     0.00   0.00  -0.00     0.00  -0.04   0.02    -0.00   0.02  -0.01
     5   7    -0.00   0.00  -0.00     0.01  -0.05   0.06    -0.00   0.04  -0.04
     6   6     0.00  -0.00  -0.00    -0.01   0.07   0.10     0.01  -0.05  -0.07
     7   1    -0.00   0.01   0.01     0.02  -0.22  -0.17    -0.01   0.16   0.12
     8   6    -0.00   0.00   0.00     0.00   0.02  -0.08    -0.00  -0.01   0.05
     9   1    -0.00   0.00  -0.00     0.01  -0.17   0.02    -0.00   0.12  -0.02
    10   6    -0.00   0.00   0.00    -0.00  -0.04   0.04     0.00   0.03  -0.03
    11   1     0.00   0.00  -0.00     0.01  -0.08  -0.05    -0.01   0.05   0.04
    12   6     0.00  -0.00  -0.00    -0.00   0.06   0.03     0.00  -0.04  -0.02
    13   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    14   1    -0.00   0.00   0.00    -0.01   0.07   0.05    -0.00  -0.04  -0.04
    15   6     0.00   0.00  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    16   1    -0.00  -0.01   0.04     0.00  -0.01   0.02     0.01  -0.01  -0.01
    17   6     0.00  -0.01   0.01     0.02  -0.05   0.00     0.03  -0.05   0.00
    18   1    -0.07   0.02  -0.00    -0.37   0.15   0.01    -0.41   0.17   0.00
    19   1     0.01   0.08  -0.05     0.07   0.41  -0.02     0.08   0.45  -0.02
    20   6    -0.03  -0.02   0.04     0.00   0.00  -0.00     0.01   0.00  -0.00
    21   1    -0.05   0.26  -0.41     0.01  -0.03   0.05     0.01  -0.04   0.08
    22   1     0.47   0.04  -0.15    -0.05  -0.03   0.01    -0.08  -0.02   0.02
    23   6    -0.03  -0.02  -0.04     0.00   0.00   0.00     0.01   0.00   0.00
    24   1     0.47   0.04   0.15    -0.05  -0.03  -0.01    -0.08  -0.02  -0.02
    25   1    -0.05   0.26   0.41     0.01  -0.03  -0.05     0.01  -0.04  -0.08
    26   6     0.00  -0.01  -0.01     0.02  -0.05  -0.00     0.03  -0.05  -0.00
    27   1     0.01   0.08   0.05     0.07   0.41   0.02     0.08   0.45   0.02
    28   1    -0.07   0.02   0.00    -0.37   0.15  -0.01    -0.41   0.17  -0.00
    29   6     0.00   0.00   0.01     0.00   0.01   0.00     0.00  -0.01   0.01
    30   1    -0.00  -0.01  -0.04     0.00  -0.01  -0.02     0.01  -0.01   0.01
    31   6     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    32   1    -0.00   0.00  -0.00    -0.01   0.07  -0.05    -0.00  -0.04   0.04
    33   6     0.00  -0.00   0.00    -0.00   0.06  -0.03     0.00  -0.04   0.02
    34   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.04     0.00   0.03   0.03
    35   1     0.00   0.00   0.00     0.01  -0.08   0.05    -0.01   0.05  -0.04
    36   6    -0.00   0.00  -0.00     0.00   0.02   0.08    -0.00  -0.01  -0.05
    37   1    -0.00   0.00   0.00     0.01  -0.17  -0.02    -0.00   0.12   0.02
    38   6     0.00  -0.00   0.00    -0.01   0.07  -0.10     0.01  -0.05   0.07
    39   1    -0.00   0.01  -0.01     0.02  -0.22   0.17    -0.01   0.16  -0.12
                     88                     89                     90
                      A                      A                      B
 Frequencies --   1501.7719              1507.0112              1562.8546
 Red. masses --      3.3694                 1.1184                 6.7983
 Frc consts  --      4.4773                 1.4965                 9.7833
 IR Inten    --      1.8163                 4.6227                 0.1602
 RamAct Fr= 1--   1892.0140                30.2384                60.0316
  Dep-P Fr= 1--      0.2773                 0.4747                 0.7500
  Dep-U Fr= 1--      0.4342                 0.6438                 0.8571
 Alpha2 Fr= 1--     20.7477                 0.1673                 0.0000
 Beta2  Fr= 1--    136.9095                 3.2445                 8.5759
 AlphaG Fr= 1--  -2673.6203               -40.9029                -0.0000
 Gamma2 Fr= 1--  -1811.2595               123.8697               331.1174
 Delta2 Fr= 1--    124.4331                -2.9657                28.8185
 Raman1 Fr= 1--    7568.056                120.954                240.127
 ROA1   Fr= 1-- -169899.056              11796.588              32709.463
 CID1   Fr= 1--     -22.449                 97.530                136.218
 Raman2 Fr= 1--    1642.915                 38.934                102.911
 ROA2   Fr= 1--  -44465.694               2996.598               7716.270
 CID2   Fr= 1--     -27.065                 76.966                 74.980
 Raman3 Fr= 1--    3285.829                 77.868                205.823
 ROA3   Fr= 1-- -169899.056              11796.588              32709.463
 CID3   Fr= 1--     -51.707                151.495                158.921
 RC180  Fr= 1--      -0.132                  0.288                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   7     0.01  -0.08  -0.11    -0.00   0.01   0.01    -0.00   0.02   0.02
     3   7     0.00  -0.05  -0.02     0.00   0.00   0.00     0.02  -0.20  -0.08
     4   7    -0.00   0.05  -0.02    -0.00  -0.00   0.00     0.02  -0.20   0.08
     5   7    -0.01   0.08  -0.11     0.00  -0.01   0.01    -0.00   0.02  -0.02
     6   6    -0.01   0.10   0.17     0.00  -0.01  -0.02     0.01  -0.07  -0.09
     7   1     0.04  -0.38  -0.28    -0.00   0.04   0.03    -0.01   0.13   0.10
     8   6     0.01   0.04  -0.13    -0.00  -0.00   0.01    -0.01   0.06   0.05
     9   1     0.01  -0.29   0.05    -0.00   0.02  -0.00    -0.00  -0.03   0.11
    10   6    -0.00  -0.06   0.07     0.00   0.00  -0.01     0.02  -0.11  -0.19
    11   1     0.01  -0.13  -0.08    -0.00   0.01   0.01    -0.02   0.02   0.39
    12   6    -0.01   0.11   0.04     0.00  -0.01  -0.00    -0.02   0.12   0.30
    13   6     0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.15  -0.07
    14   1    -0.01   0.11   0.10     0.00  -0.01  -0.01     0.01   0.17  -0.10
    15   6    -0.00   0.01   0.01     0.00  -0.01  -0.01    -0.01   0.04   0.01
    16   1     0.00   0.01   0.01     0.01   0.03   0.03    -0.00  -0.00   0.12
    17   6     0.00  -0.01  -0.00     0.02  -0.04   0.00    -0.00  -0.01   0.00
    18   1    -0.07   0.03   0.01    -0.34   0.14   0.01     0.02  -0.01   0.02
    19   1     0.01   0.08  -0.00     0.06   0.36  -0.02    -0.00  -0.01  -0.01
    20   6    -0.01  -0.01   0.01    -0.02  -0.02   0.03    -0.00   0.00  -0.00
    21   1    -0.01   0.06  -0.10    -0.03   0.18  -0.28    -0.00   0.01  -0.01
    22   1     0.11   0.01  -0.03     0.32   0.03  -0.08     0.01  -0.01  -0.01
    23   6     0.01   0.01   0.01     0.02   0.02   0.03    -0.00   0.00   0.00
    24   1    -0.11  -0.01  -0.03    -0.32  -0.03  -0.08     0.01  -0.01   0.01
    25   1     0.01  -0.06  -0.10     0.03  -0.18  -0.28    -0.00   0.01   0.01
    26   6    -0.00   0.01  -0.00    -0.02   0.04   0.00    -0.00  -0.01  -0.00
    27   1    -0.01  -0.08  -0.00    -0.06  -0.36  -0.02    -0.00  -0.01   0.01
    28   1     0.07  -0.03   0.01     0.34  -0.14   0.01     0.02  -0.01  -0.02
    29   6     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
    30   1    -0.00  -0.01   0.01    -0.01  -0.03   0.03    -0.00  -0.00  -0.12
    31   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.15   0.07
    32   1     0.01  -0.11   0.10    -0.00   0.01  -0.01     0.01   0.17   0.10
    33   6     0.01  -0.11   0.04    -0.00   0.01  -0.00    -0.02   0.12  -0.30
    34   6     0.00   0.06   0.07    -0.00  -0.00  -0.01     0.02  -0.11   0.19
    35   1    -0.01   0.13  -0.08     0.00  -0.01   0.01    -0.02   0.02  -0.39
    36   6    -0.01  -0.04  -0.13     0.00   0.00   0.01    -0.01   0.06  -0.05
    37   1    -0.01   0.29   0.05     0.00  -0.02  -0.00    -0.00  -0.03  -0.11
    38   6     0.01  -0.10   0.17    -0.00   0.01  -0.02     0.01  -0.07   0.09
    39   1    -0.04   0.38  -0.28     0.00  -0.04   0.03    -0.01   0.13  -0.10
                     91                     92                     93
                      A                      B                      A
 Frequencies --   1568.5481              1622.4296              1632.8679
 Red. masses --      6.9087                 5.8085                 6.2198
 Frc consts  --     10.0148                 9.0084                 9.7707
 IR Inten    --      4.2787               295.3518               648.8920
 RamAct Fr= 1--    580.5465              1292.7735               712.1752
  Dep-P Fr= 1--      0.1187                 0.7500                 0.2280
  Dep-U Fr= 1--      0.2122                 0.8571                 0.3713
 Alpha2 Fr= 1--      9.7077                 0.0000                 8.9710
 Beta2  Fr= 1--     20.5283               184.6819                44.0689
 AlphaG Fr= 1--   -226.4944                 0.0000              1296.9645
 Gamma2 Fr= 1--   -606.7463             14949.1013               684.8924
 Delta2 Fr= 1--    -24.8839               164.7926              -314.3855
 Raman1 Fr= 1--    2322.186               5171.094               2848.701
 ROA1   Fr= 1--  -59043.931            1440387.087              55689.333
 CID1   Fr= 1--     -25.426                278.546                 19.549
 Raman2 Fr= 1--     246.340               2216.183                528.827
 ROA2   Fr= 1--  -14362.841             357460.090              18952.501
 CID2   Fr= 1--     -58.305                161.295                 35.839
 Raman3 Fr= 1--     492.680               4432.366               1057.653
 ROA3   Fr= 1--  -59043.931            1440387.087              55689.333
 CID3   Fr= 1--    -119.842                324.970                 52.654
 RC180  Fr= 1--      -0.576                  0.714                 -0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7    -0.00   0.02   0.01     0.00   0.01  -0.00     0.00   0.00  -0.02
     3   7     0.01  -0.21  -0.09     0.03  -0.19  -0.10     0.03  -0.20  -0.11
     4   7    -0.01   0.21  -0.09     0.03  -0.19   0.10    -0.03   0.20  -0.11
     5   7     0.00  -0.02   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.02
     6   6     0.01  -0.07  -0.09    -0.00   0.04   0.04    -0.00   0.04   0.05
     7   1    -0.01   0.14   0.11     0.00  -0.00  -0.00     0.00  -0.03  -0.01
     8   6    -0.01   0.06   0.05     0.00  -0.07   0.03     0.00  -0.06   0.03
     9   1    -0.00  -0.02   0.11    -0.00   0.07  -0.05     0.00   0.04  -0.04
    10   6     0.02  -0.11  -0.19    -0.00   0.06   0.01    -0.00   0.06   0.02
    11   1    -0.02   0.02   0.38     0.00   0.05  -0.09     0.00   0.04  -0.09
    12   6    -0.02   0.12   0.31     0.01  -0.10  -0.17     0.01  -0.09  -0.17
    13   6     0.00   0.15  -0.07    -0.02   0.26   0.21    -0.02   0.27   0.22
    14   1     0.01   0.18  -0.09     0.06  -0.26  -0.37     0.06  -0.26  -0.37
    15   6    -0.00   0.04   0.05    -0.02   0.02  -0.01    -0.01   0.00   0.02
    16   1     0.01   0.03   0.07     0.02   0.06   0.25     0.03   0.11   0.19
    17   6    -0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    18   1     0.03  -0.02   0.05     0.00  -0.00  -0.00    -0.00   0.00   0.03
    19   1    -0.01  -0.02   0.00    -0.00   0.00  -0.02    -0.00   0.01  -0.01
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.00
    22   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.01   0.00
    25   1     0.00   0.00   0.01    -0.00   0.01   0.01     0.00  -0.01  -0.00
    26   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00   0.00  -0.00
    27   1     0.01   0.02   0.00    -0.00   0.00   0.02     0.00  -0.01  -0.01
    28   1    -0.03   0.02   0.05     0.00  -0.00   0.00     0.00  -0.00   0.03
    29   6     0.00  -0.04   0.05    -0.02   0.02   0.01     0.01  -0.00   0.02
    30   1    -0.01  -0.03   0.07     0.02   0.06  -0.25    -0.03  -0.11   0.19
    31   6    -0.00  -0.15  -0.07    -0.02   0.26  -0.21     0.02  -0.27   0.22
    32   1    -0.01  -0.18  -0.09     0.06  -0.26   0.37    -0.06   0.26  -0.37
    33   6     0.02  -0.12   0.31     0.01  -0.10   0.17    -0.01   0.09  -0.17
    34   6    -0.02   0.11  -0.19    -0.00   0.06  -0.01     0.00  -0.06   0.02
    35   1     0.02  -0.02   0.38     0.00   0.05   0.09    -0.00  -0.04  -0.09
    36   6     0.01  -0.06   0.05     0.00  -0.07  -0.03    -0.00   0.06   0.03
    37   1     0.00   0.02   0.11    -0.00   0.07   0.05    -0.00  -0.04  -0.04
    38   6    -0.01   0.07  -0.09    -0.00   0.04  -0.04     0.00  -0.04   0.05
    39   1     0.01  -0.14   0.11     0.00  -0.00   0.00    -0.00   0.03  -0.01
                     94                     95                     96
                      A                      B                      A
 Frequencies --   2956.7572              2971.1763              3015.1528
 Red. masses --      1.0786                 1.0841                 1.0717
 Frc consts  --      5.5559                 5.6385                 5.7404
 IR Inten    --     21.6305                29.6005                16.3199
 RamAct Fr= 1--    772.2497               297.0676               344.2105
  Dep-P Fr= 1--      0.0465                 0.7500                 0.0452
  Dep-U Fr= 1--      0.0889                 0.8571                 0.0866
 Alpha2 Fr= 1--     15.3817                 0.0000                 6.8765
 Beta2  Fr= 1--     11.4388                42.4382                 4.9670
 AlphaG Fr= 1--   -279.9687                -0.0000               -64.9841
 Gamma2 Fr= 1--    116.6184               429.6231                30.2195
 Delta2 Fr= 1--    -73.6759               175.6652                 5.3731
 Raman1 Fr= 1--    3088.999               1188.271               1376.842
 ROA1   Fr= 1--    8837.743              46865.101               3073.015
 CID1   Fr= 1--       2.861                 39.440                  2.232
 Raman2 Fr= 1--     137.265                509.259                 59.604
 ROA2   Fr= 1--    3388.249               8905.632                682.284
 CID2   Fr= 1--      24.684                 17.487                 11.447
 Raman3 Fr= 1--     274.530               1018.518                119.207
 ROA3   Fr= 1--    8837.743              46865.101               3073.015
 CID3   Fr= 1--      32.192                 46.013                 25.779
 RC180  Fr= 1--      -0.822                  0.714                 -0.827
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   6    -0.06   0.01   0.00    -0.06   0.01   0.00    -0.00   0.00  -0.00
    16   1     0.70  -0.09  -0.03     0.69  -0.09  -0.03     0.02  -0.00  -0.00
    17   6     0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    18   1    -0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.01  -0.02   0.00
    19   1    -0.03   0.01   0.00    -0.12   0.01   0.01    -0.16   0.02   0.01
    20   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.00   0.01
    21   1    -0.03  -0.00   0.00    -0.02  -0.00  -0.00     0.67  -0.02  -0.04
    22   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.06   0.07  -0.11
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.05   0.00   0.01
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.01     0.06  -0.07  -0.11
    25   1     0.03   0.00   0.00    -0.02  -0.00   0.00    -0.67   0.02  -0.04
    26   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    27   1     0.03  -0.01   0.00    -0.12   0.01  -0.01     0.16  -0.02   0.01
    28   1     0.01   0.02  -0.00     0.00  -0.01   0.00     0.01   0.02   0.00
    29   6     0.06  -0.01   0.00    -0.06   0.01  -0.00     0.00  -0.00  -0.00
    30   1    -0.70   0.09  -0.03     0.69  -0.09   0.03    -0.02   0.00  -0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    34   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     97                     98                     99
                      B                      A                      B
 Frequencies --   3021.3033              3026.4220              3027.7409
 Red. masses --      1.0658                 1.0612                 1.0600
 Frc consts  --      5.7321                 5.7265                 5.7253
 IR Inten    --     18.6678                 3.3636                46.5324
 RamAct Fr= 1--     35.7882                84.8660                10.3278
  Dep-P Fr= 1--      0.7500                 0.1410                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2471                 0.8571
 Alpha2 Fr= 1--      0.0000                 1.3422                 0.0000
 Beta2  Fr= 1--      5.1126                 3.4954                 1.4754
 AlphaG Fr= 1--     -0.0000               -24.5228                -0.0000
 Gamma2 Fr= 1--     20.6555                51.7180                16.6341
 Delta2 Fr= 1--     17.3363               -16.2519                -6.2272
 Raman1 Fr= 1--     143.153                339.464                 41.311
 ROA1   Fr= 1--    2537.692               4444.867               1397.601
 CID1   Fr= 1--      17.727                 13.094                 33.831
 Raman2 Fr= 1--      61.351                 41.945                 17.705
 ROA2   Fr= 1--     357.041               1371.248                449.035
 CID2   Fr= 1--       5.820                 32.691                 25.362
 Raman3 Fr= 1--     122.702                 83.890                 35.410
 ROA3   Fr= 1--    2537.692               4444.867               1397.601
 CID3   Fr= 1--      20.682                 52.984                 39.469
 RC180  Fr= 1--       0.714                 -0.506                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.01
    15   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    16   1    -0.04   0.00   0.00     0.02  -0.01  -0.00     0.09  -0.01  -0.00
    17   6     0.03  -0.01  -0.00    -0.04   0.03   0.00    -0.03   0.03   0.00
    18   1     0.05   0.08   0.00    -0.16  -0.31   0.00    -0.16  -0.31   0.00
    19   1    -0.36   0.05   0.01     0.59  -0.07  -0.02     0.47  -0.06  -0.01
    20   6    -0.04  -0.01   0.02    -0.01  -0.00   0.01    -0.01  -0.01   0.02
    21   1     0.54  -0.02  -0.03     0.11  -0.01  -0.01     0.26  -0.01  -0.01
    22   1    -0.10   0.12  -0.20    -0.05   0.06  -0.10    -0.10   0.13  -0.22
    23   6    -0.04  -0.01  -0.02     0.01   0.00   0.01    -0.01  -0.01  -0.02
    24   1    -0.10   0.12   0.20     0.05  -0.06  -0.10    -0.10   0.13   0.22
    25   1     0.54  -0.02   0.03    -0.11   0.01  -0.01     0.26  -0.01   0.01
    26   6     0.03  -0.01   0.00     0.04  -0.03   0.00    -0.03   0.03  -0.00
    27   1    -0.36   0.05  -0.01    -0.59   0.07  -0.02     0.47  -0.06   0.01
    28   1     0.05   0.08  -0.00     0.16   0.31   0.00    -0.16  -0.31  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    30   1    -0.04   0.00  -0.00    -0.02   0.01  -0.00     0.09  -0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00   0.01   0.01
    33   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    100                    101                    102
                      B                      A                      A
 Frequencies --   3067.5665              3068.6017              3070.6165
 Red. masses --      1.0966                 1.0907                 1.1018
 Frc consts  --      6.0799                 6.0512                 6.1207
 IR Inten    --     40.4624                65.1046                 0.0022
 RamAct Fr= 1--     78.4475               508.6382                93.9898
  Dep-P Fr= 1--      0.7500                 0.1753                 0.4689
  Dep-U Fr= 1--      0.8571                 0.2984                 0.6384
 Alpha2 Fr= 1--      0.0000                 7.3685                 0.5330
 Beta2  Fr= 1--     11.2068                25.2935                10.0005
 AlphaG Fr= 1--     -0.0000               -47.5369               -13.4635
 Gamma2 Fr= 1--    -90.5501               -17.6183               -25.8307
 Delta2 Fr= 1--    -63.7982                30.4743                 4.9359
 Raman1 Fr= 1--     313.790               2034.553                375.959
 ROA1   Fr= 1--  -10734.353               -716.184              -2321.795
 CID1   Fr= 1--     -34.209                 -0.352                 -6.176
 Raman2 Fr= 1--     134.481                303.522                120.006
 ROA2   Fr= 1--   -1662.818               -666.634               -659.423
 CID2   Fr= 1--     -12.365                 -2.196                 -5.495
 Raman3 Fr= 1--     268.963                607.044                240.012
 ROA3   Fr= 1--  -10734.353               -716.184              -2321.795
 CID3   Fr= 1--     -39.910                 -1.180                 -9.674
 RC180  Fr= 1--       0.714                 -0.403                  0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.02   0.02     0.00   0.01  -0.00    -0.00  -0.02   0.02
    15   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.03  -0.00  -0.00     0.00  -0.00   0.00     0.04  -0.01   0.00
    17   6    -0.03  -0.03   0.00     0.00   0.01   0.00    -0.05  -0.04   0.00
    18   1     0.20   0.43  -0.01    -0.06  -0.12   0.00     0.25   0.55  -0.01
    19   1     0.16  -0.03  -0.00     0.05  -0.00  -0.00     0.33  -0.05  -0.01
    20   6     0.03  -0.02   0.03    -0.03   0.03  -0.04    -0.01   0.00  -0.00
    21   1    -0.17  -0.00   0.02     0.13   0.00  -0.02     0.11  -0.00  -0.01
    22   1    -0.15   0.22  -0.37     0.23  -0.33   0.55     0.02  -0.04   0.06
    23   6     0.03  -0.02  -0.03     0.03  -0.03  -0.04     0.01  -0.00  -0.00
    24   1    -0.15   0.22   0.37    -0.23   0.33   0.55    -0.02   0.04   0.06
    25   1    -0.17  -0.00  -0.02    -0.13  -0.00  -0.02    -0.11   0.00  -0.01
    26   6    -0.03  -0.03  -0.00    -0.00  -0.01   0.00     0.05   0.04   0.00
    27   1     0.16  -0.03   0.00    -0.05   0.00  -0.00    -0.33   0.05  -0.01
    28   1     0.20   0.43   0.01     0.06   0.12   0.00    -0.25  -0.55  -0.01
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   1     0.03  -0.00   0.00    -0.00   0.00   0.00    -0.04   0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.02  -0.02    -0.00  -0.01  -0.00     0.00   0.02   0.02
    33   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    35   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    38   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
                    103                    104                    105
                      B                      B                      A
 Frequencies --   3075.1796              3142.8526              3143.0744
 Red. masses --      1.1046                 1.0911                 1.0910
 Frc consts  --      6.1546                 6.3497                 6.3499
 IR Inten    --     62.4545                20.8138                14.0954
 RamAct Fr= 1--     82.8660               527.3601               566.9070
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2842
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4426
 Alpha2 Fr= 1--      0.0000                 0.0000                 6.0922
 Beta2  Fr= 1--     11.8380                75.3372                41.8226
 AlphaG Fr= 1--     -0.0000                 0.0000              -770.2920
 Gamma2 Fr= 1--     24.5596              -150.3495               -62.7052
 Delta2 Fr= 1--     48.3902                 0.3030                -2.7502
 Raman1 Fr= 1--     331.464               2109.441               2267.628
 ROA1   Fr= 1--    3906.206             -14423.854              -6107.705
 CID1   Fr= 1--      11.785                 -6.838                 -2.693
 Raman2 Fr= 1--     142.056                904.046                501.871
 ROA2   Fr= 1--     202.309              -3610.811              -1482.923
 CID2   Fr= 1--       1.424                 -3.994                 -2.955
 Raman3 Fr= 1--     284.112               1808.092               1003.742
 ROA3   Fr= 1--    3906.206             -14423.854              -6107.705
 CID3   Fr= 1--      13.749                 -7.977                 -6.085
 RC180  Fr= 1--       0.714                  0.714                 -0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.05   0.04    -0.00  -0.05   0.04
    14   1    -0.00  -0.01   0.01     0.04   0.53  -0.46     0.04   0.53  -0.46
    15   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.06  -0.01  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    17   6    -0.04  -0.02   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1     0.16   0.34  -0.00     0.01   0.03   0.00     0.01   0.03   0.00
    19   1     0.31  -0.05  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   6    -0.04   0.02  -0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.32  -0.00  -0.03     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.13  -0.19   0.31    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.04   0.02   0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.13  -0.19  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.32  -0.00   0.03     0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   6    -0.04  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.31  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.16   0.34   0.00     0.01   0.03  -0.00    -0.01  -0.03   0.00
    29   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.06  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    31   6     0.00   0.00   0.00    -0.00  -0.05  -0.04     0.00   0.05   0.04
    32   1    -0.00  -0.01  -0.01     0.04   0.53   0.46    -0.04  -0.53  -0.46
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    36   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    106                    107                    108
                      B                      A                      B
 Frequencies --   3224.8771              3226.3475              3232.9339
 Red. masses --      1.0889                 1.0887                 1.0942
 Frc consts  --      6.6719                 6.6768                 6.7382
 IR Inten    --      0.3921                 0.9671                11.3604
 RamAct Fr= 1--    165.7416               188.3867                 3.0186
  Dep-P Fr= 1--      0.7500                 0.7158                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8344                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1111                 0.0000
 Beta2  Fr= 1--     23.6774                26.1981                 0.4312
 AlphaG Fr= 1--      0.0000               -16.8015                -0.0000
 Gamma2 Fr= 1--   -260.8019              -125.6176                63.9173
 Delta2 Fr= 1--     -7.4041                -7.4607                 0.1608
 Raman1 Fr= 1--     662.966                753.547                 12.074
 ROA1   Fr= 1--  -25273.914             -12298.028               6141.206
 CID1   Fr= 1--     -38.122                -16.320                508.615
 Raman2 Fr= 1--     284.128                314.377                  5.175
 ROA2   Fr= 1--   -6200.013              -2955.136               1532.728
 CID2   Fr= 1--     -21.821                 -9.400                296.195
 Raman3 Fr= 1--     568.257                628.755                 10.349
 ROA3   Fr= 1--  -25273.914             -12298.028               6141.206
 CID3   Fr= 1--     -44.476                -19.559                593.384
 RC180  Fr= 1--       0.714                  0.669                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.03     0.00   0.02  -0.02    -0.00  -0.03   0.03
     7   1     0.01   0.31  -0.33    -0.00  -0.23   0.24     0.01   0.31  -0.33
     8   6     0.00  -0.02  -0.03    -0.00   0.02   0.03    -0.00   0.01   0.00
     9   1    -0.03   0.22   0.37     0.03  -0.24  -0.39     0.00  -0.04  -0.05
    10   6    -0.00   0.03  -0.01     0.00  -0.04   0.01     0.00  -0.05   0.01
    11   1     0.01  -0.32   0.09    -0.01   0.41  -0.11    -0.02   0.52  -0.14
    12   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00   0.03   0.01    -0.00   0.04   0.01     0.00  -0.05  -0.01
    35   1     0.01  -0.32  -0.09     0.01  -0.41  -0.11    -0.02   0.52   0.14
    36   6     0.00  -0.02   0.03     0.00  -0.02   0.03    -0.00   0.01  -0.00
    37   1    -0.03   0.22  -0.37    -0.03   0.24  -0.39     0.00  -0.04   0.05
    38   6    -0.00  -0.03  -0.03    -0.00  -0.02  -0.02    -0.00  -0.03  -0.03
    39   1     0.01   0.31   0.33     0.00   0.23   0.24     0.01   0.31   0.33
                    109                    110                    111
                      A                      B                      A
 Frequencies --   3235.1839              3248.9025              3249.9243
 Red. masses --      1.0938                 1.1034                 1.1032
 Frc consts  --      6.7449                 6.8622                 6.8651
 IR Inten    --      3.0187                 8.1071                15.1987
 RamAct Fr= 1--     93.9825                88.1816              1059.0929
  Dep-P Fr= 1--      0.6976                 0.7500                 0.1343
  Dep-U Fr= 1--      0.8219                 0.8571                 0.2368
 Alpha2 Fr= 1--      0.0860                 0.0000                17.0342
 Beta2  Fr= 1--     12.8733                12.5974                41.7936
 AlphaG Fr= 1--     17.8026                 0.0000              -589.4747
 Gamma2 Fr= 1--   -234.7531               -33.0443              -751.2714
 Delta2 Fr= 1--      1.9388                24.6032                31.1936
 Raman1 Fr= 1--     375.930                352.726               4236.372
 ROA1   Fr= 1--  -22474.253              -2384.954             -71123.860
 CID1   Fr= 1--     -59.783                 -6.761                -16.789
 Raman2 Fr= 1--     154.480                151.168                501.523
 ROA2   Fr= 1--   -5649.584               -989.890             -18280.062
 CID2   Fr= 1--     -36.572                 -6.548                -36.449
 Raman3 Fr= 1--     308.960                302.337               1003.046
 ROA3   Fr= 1--  -22474.253              -2384.954             -71123.860
 CID3   Fr= 1--     -72.742                 -7.888                -70.908
 RC180  Fr= 1--       0.644                  0.714                 -0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.03     0.00   0.02  -0.02     0.00   0.02  -0.02
     7   1     0.01   0.35  -0.37    -0.00  -0.21   0.21    -0.00  -0.25   0.26
     8   6     0.00  -0.00  -0.01     0.00  -0.03  -0.04     0.00  -0.03  -0.04
     9   1    -0.01   0.04   0.07    -0.04   0.29   0.47    -0.04   0.27   0.45
    10   6     0.00  -0.04   0.01     0.00  -0.03   0.01     0.00  -0.03   0.01
    11   1    -0.01   0.47  -0.13    -0.01   0.31  -0.09    -0.01   0.28  -0.08
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00   0.04   0.01     0.00  -0.03  -0.01    -0.00   0.03   0.01
    35   1     0.01  -0.47  -0.13    -0.01   0.31   0.09     0.01  -0.28  -0.08
    36   6    -0.00   0.00  -0.01     0.00  -0.03   0.04    -0.00   0.03  -0.04
    37   1     0.01  -0.04   0.07    -0.04   0.29  -0.47     0.04  -0.27   0.45
    38   6     0.00   0.03   0.03     0.00   0.02   0.02    -0.00  -0.02  -0.02
    39   1    -0.01  -0.35  -0.37    -0.00  -0.21  -0.21     0.00   0.25   0.26

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number 28 and mass  57.93535
 Atom     2 has atomic number  7 and mass  14.00307
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  6 and mass  12.00000
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  6 and mass  12.00000
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  6 and mass  12.00000
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  1 and mass   1.00783
 Molecular mass:   324.08849 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4818.025056447.50548**********
           X            0.00000  -0.03992   0.99920
           Y            0.00000   0.99920   0.03992
           Z            1.00000   0.00000   0.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  2.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01798     0.01343     0.00777
 Rotational constants (GHZ):           0.37458     0.27991     0.16197
 Zero-point vibrational energy     839710.6 (Joules/Mol)
                                  200.69564 (Kcal/Mol)
 Warning -- explicit consideration of  27 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     70.44    80.29   101.27   140.62   179.83
          (Kelvin)            217.97   220.77   239.37   307.84   365.98
                              371.82   395.37   399.32   477.88   489.85
                              521.75   557.48   575.77   580.88   614.40
                              639.90   677.02   704.80   825.71   875.68
                              880.58   885.49   952.32   953.35  1002.63
                             1003.74  1062.03  1067.12  1128.36  1162.91
                             1181.85  1191.86  1197.71  1226.84  1236.35
                             1247.84  1269.83  1293.37  1326.67  1329.15
                             1356.82  1380.09  1382.33  1385.44  1449.15
                             1456.59  1527.90  1530.32  1531.17  1545.53
                             1551.71  1583.45  1590.10  1599.06  1605.08
                             1659.19  1689.54  1769.74  1771.69  1785.74
                             1826.50  1828.54  1857.83  1867.31  1885.30
                             1901.92  1907.32  1922.30  1934.55  1955.02
                             1959.88  1978.94  1982.85  1993.50  2003.55
                             2008.45  2044.43  2051.17  2145.07  2146.27
                             2153.64  2154.82  2160.71  2168.25  2248.60
                             2256.79  2334.31  2349.33  4254.11  4274.86
                             4338.13  4346.98  4354.35  4356.24  4413.54
                             4415.03  4417.93  4424.50  4521.86  4522.18
                             4639.88  4641.99  4651.47  4654.71  4674.45
                             4675.92
 
 Zero-point correction=                           0.319829 (Hartree/Particle)
 Thermal correction to Energy=                    0.336763
 Thermal correction to Enthalpy=                  0.337707
 Thermal correction to Gibbs Free Energy=         0.276126
 Sum of electronic and zero-point Energies=          -2348.073912
 Sum of electronic and thermal Energies=             -2348.056978
 Sum of electronic and thermal Enthalpies=           -2348.056034
 Sum of electronic and thermal Free Energies=        -2348.117615
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  211.322             69.676            129.608
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.223
 Rotational               0.889              2.981             32.826
 Vibrational            209.544             63.714             53.560
 Vibration     1          0.595              1.978              4.859
 Vibration     2          0.596              1.975              4.600
 Vibration     3          0.598              1.968              4.143
 Vibration     4          0.603              1.951              3.499
 Vibration     5          0.610              1.928              3.022
 Vibration     6          0.619              1.901              2.653
 Vibration     7          0.619              1.899              2.629
 Vibration     8          0.624              1.884              2.476
 Vibration     9          0.644              1.820              2.010
 Vibration    10          0.665              1.755              1.700
 Vibration    11          0.667              1.749              1.672
 Vibration    12          0.677              1.720              1.566
 Vibration    13          0.679              1.715              1.549
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.720              1.595              1.210
 Vibration    16          0.736              1.549              1.111
 Vibration    17          0.756              1.497              1.010
 Vibration    18          0.766              1.470              0.962
 Vibration    19          0.769              1.462              0.949
 Vibration    20          0.789              1.411              0.868
 Vibration    21          0.804              1.372              0.812
 Vibration    22          0.828              1.315              0.736
 Vibration    23          0.846              1.273              0.684
 Vibration    24          0.930              1.088              0.497
 Vibration    25          0.968              1.014              0.435
 Vibration    26          0.971              1.006              0.429
 Vibration    27          0.975              0.999              0.424
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.979586-127       -127.008958       -292.448932
 Total V=0       0.126467D+21         20.101978         46.286514
 Vib (Bot)       0.128281-141       -141.891838       -326.718032
 Vib (Bot)    1  0.422269D+01          0.625589          1.440473
 Vib (Bot)    2  0.370231D+01          0.568473          1.308958
 Vib (Bot)    3  0.293002D+01          0.466870          1.075008
 Vib (Bot)    4  0.210073D+01          0.322371          0.742287
 Vib (Bot)    5  0.163306D+01          0.213002          0.490454
 Vib (Bot)    6  0.133783D+01          0.126400          0.291046
 Vib (Bot)    7  0.132012D+01          0.120613          0.277723
 Vib (Bot)    8  0.121274D+01          0.083767          0.192881
 Vib (Bot)    9  0.926804D+00         -0.033012         -0.076014
 Vib (Bot)   10  0.765666D+00         -0.115961         -0.267009
 Vib (Bot)   11  0.752174D+00         -0.123682         -0.284788
 Vib (Bot)   12  0.701568D+00         -0.153931         -0.354438
 Vib (Bot)   13  0.693635D+00         -0.158869         -0.365810
 Vib (Bot)   14  0.561797D+00         -0.250421         -0.576615
 Vib (Bot)   15  0.545232D+00         -0.263418         -0.606543
 Vib (Bot)   16  0.504553D+00         -0.297093         -0.684082
 Vib (Bot)   17  0.464179D+00         -0.333314         -0.767485
 Vib (Bot)   18  0.445332D+00         -0.351316         -0.808935
 Vib (Bot)   19  0.440258D+00         -0.356293         -0.820394
 Vib (Bot)   20  0.408966D+00         -0.388313         -0.894123
 Vib (Bot)   21  0.387216D+00         -0.412046         -0.948772
 Vib (Bot)   22  0.358293D+00         -0.445762         -1.026404
 Vib (Bot)   23  0.338515D+00         -0.470423         -1.083188
 Vib (Bot)   24  0.267144D+00         -0.573255         -1.319968
 Vib (Bot)   25  0.243156D+00         -0.614115         -1.414051
 Vib (Bot)   26  0.240946D+00         -0.618079         -1.423180
 Vib (Bot)   27  0.238757D+00         -0.622044         -1.432310
 Vib (V=0)       0.165614D+06          5.219097         12.017414
 Vib (V=0)    1  0.475219D+01          0.676894          1.558606
 Vib (V=0)    2  0.423592D+01          0.626948          1.443601
 Vib (V=0)    3  0.347237D+01          0.540626          1.244838
 Vib (V=0)    4  0.265942D+01          0.424786          0.978107
 Vib (V=0)    5  0.220789D+01          0.343977          0.792036
 Vib (V=0)    6  0.192821D+01          0.285154          0.656591
 Vib (V=0)    7  0.191164D+01          0.281405          0.647959
 Vib (V=0)    8  0.181177D+01          0.258102          0.594303
 Vib (V=0)    9  0.155307D+01          0.191192          0.440236
 Vib (V=0)   10  0.141446D+01          0.150592          0.346751
 Vib (V=0)   11  0.140320D+01          0.147119          0.338753
 Vib (V=0)   12  0.136151D+01          0.134020          0.308593
 Vib (V=0)   13  0.135506D+01          0.131959          0.303846
 Vib (V=0)   14  0.125207D+01          0.097630          0.224802
 Vib (V=0)   15  0.123978D+01          0.093346          0.214936
 Vib (V=0)   16  0.121033D+01          0.082905          0.190896
 Vib (V=0)   17  0.118225D+01          0.072709          0.167418
 Vib (V=0)   18  0.116957D+01          0.068025          0.156634
 Vib (V=0)   19  0.116620D+01          0.066774          0.153754
 Vib (V=0)   20  0.114595D+01          0.059166          0.136235
 Vib (V=0)   21  0.113241D+01          0.054002          0.124344
 Vib (V=0)   22  0.111512D+01          0.047322          0.108963
 Vib (V=0)   23  0.110381D+01          0.042896          0.098772
 Vib (V=0)   24  0.106689D+01          0.028120          0.064749
 Vib (V=0)   25  0.105599D+01          0.023660          0.054479
 Vib (V=0)   26  0.105503D+01          0.023264          0.053567
 Vib (V=0)   27  0.105408D+01          0.022874          0.052668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.229324D+09          8.360449         19.250646
 Rotational      0.332990D+07          6.522432         15.018454
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       28           0.000000000    0.000000000   -0.000036981
      2        7           0.000016409   -0.000025090    0.000012903
      3        7          -0.000008500   -0.000029420   -0.000010402
      4        7           0.000008500    0.000029420   -0.000010402
      5        7          -0.000016409    0.000025090    0.000012903
      6        6          -0.000012150    0.000002209    0.000004455
      7        1           0.000004897    0.000002317   -0.000007424
      8        6           0.000009887    0.000010029   -0.000012470
      9        1           0.000000486   -0.000001750   -0.000002677
     10        6          -0.000009307    0.000005928    0.000014783
     11        1           0.000000291   -0.000001907    0.000000838
     12        6           0.000001385   -0.000013547    0.000004025
     13        6           0.000010962    0.000024565    0.000010930
     14        1          -0.000000808   -0.000001909    0.000000997
     15        6          -0.000011474    0.000013314    0.000011659
     16        1           0.000011100   -0.000002914   -0.000000668
     17        6           0.000011525    0.000001691   -0.000002402
     18        1          -0.000002776   -0.000001846   -0.000000517
     19        1          -0.000003618    0.000002985   -0.000000029
     20        6          -0.000008927    0.000004225   -0.000005005
     21        1           0.000004332    0.000001488   -0.000000542
     22        1           0.000004963   -0.000002309    0.000000038
     23        6           0.000008927   -0.000004225   -0.000005005
     24        1          -0.000004963    0.000002309    0.000000038
     25        1          -0.000004332   -0.000001488   -0.000000542
     26        6          -0.000011525   -0.000001691   -0.000002402
     27        1           0.000003618   -0.000002985   -0.000000029
     28        1           0.000002776    0.000001846   -0.000000517
     29        6           0.000011474   -0.000013314    0.000011659
     30        1          -0.000011100    0.000002914   -0.000000668
     31        6          -0.000010962   -0.000024565    0.000010930
     32        1           0.000000808    0.000001909    0.000000997
     33        6          -0.000001385    0.000013547    0.000004025
     34        6           0.000009307   -0.000005928    0.000014783
     35        1          -0.000000291    0.000001907    0.000000838
     36        6          -0.000009887   -0.000010029   -0.000012470
     37        1          -0.000000486    0.000001750   -0.000002677
     38        6           0.000012150   -0.000002209    0.000004455
     39        1          -0.000004897   -0.000002317   -0.000007424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000036981 RMS     0.000009903
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143635D+03 -0.116935D+02  0.000000D+00
      2  -0.116935D+02  0.359195D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.385695D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.469959D+02 -0.480507D+03  0.000000D+00
      2   0.471950D+02 -0.120281D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.130114D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.234083D+03
      2   0.000000D+00  0.000000D+00  0.267391D+03
      3   0.000000D+00  0.000000D+00 -0.333075D+02
      4   0.000000D+00  0.000000D+00 -0.711897D+02
      5  -0.910142D+02 -0.548898D+02  0.000000D+00
      6  -0.942710D+02  0.688361D+03  0.000000D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.209519D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00  0.115908D+02  0.000000D+00  0.000000D+00
      3  -0.209519D+01  0.115908D+02  0.000000D+00  0.617117D+00 -0.560179D+01
                 6             7             8             9            10 
      1   0.617117D+00  0.655192D+00  0.111911D+02  0.000000D+00 -0.128606D+00
      2  -0.560179D+01  0.111911D+02  0.327186D+03  0.000000D+00 -0.901549D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00  0.145733D+02  0.460712D+00
                11            12            13            14            15 
      1  -0.901549D+01  0.460712D+00  0.150880D+00  0.732755D+01  0.101294D+01
      2  -0.284839D+01 -0.337010D+01  0.732755D+01  0.326772D+03 -0.347283D+01
      3  -0.337010D+01 -0.197411D+02  0.101294D+01 -0.347283D+01 -0.111922D+01
                16            17            18            19            20 
      1  -0.515225D+00  0.801898D+01 -0.120240D+01  0.990288D+00  0.765502D+01
      2   0.801898D+01  0.162149D+03 -0.100964D+02  0.765502D+01  0.409286D+01
      3  -0.120240D+01 -0.100964D+02  0.403764D+02 -0.254058D+01  0.469927D+01
                21            22            23            24            25 
      1  -0.254058D+01 -0.159670D+01  0.166797D+02  0.632239D+01 -0.162773D+01
      2   0.469927D+01  0.166797D+02  0.230002D+03 -0.621025D+02 -0.694414D+01
      3   0.283509D+02  0.632239D+01 -0.621025D+02 -0.481989D+02  0.373466D+01
                26            27            28            29            30 
      1  -0.694414D+01  0.373466D+01 -0.990288D+00 -0.765502D+01 -0.254058D+01
      2  -0.431220D+03 -0.247066D+01 -0.765502D+01 -0.409286D+01  0.469927D+01
      3  -0.247066D+01 -0.521818D+02 -0.254058D+01  0.469927D+01 -0.283509D+02
                31            32            33            34            35 
      1   0.159670D+01 -0.166797D+02  0.632239D+01 -0.162773D+01 -0.694414D+01
      2  -0.166797D+02 -0.230002D+03 -0.621025D+02 -0.694414D+01 -0.431220D+03
      3   0.632239D+01 -0.621025D+02  0.481989D+02 -0.373466D+01  0.247066D+01
                36            37            38            39            40 
      1  -0.373466D+01  0.128606D+00  0.901549D+01  0.460712D+00 -0.150880D+00
      2   0.247066D+01  0.901549D+01  0.284839D+01 -0.337010D+01 -0.732755D+01
      3  -0.521818D+02  0.460712D+00 -0.337010D+01  0.197411D+02  0.101294D+01
                41            42            43            44            45 
      1  -0.732755D+01  0.101294D+01 -0.515225D+00  0.801898D+01  0.120240D+01
      2  -0.326772D+03 -0.347283D+01  0.801898D+01  0.162149D+03  0.100964D+02
      3  -0.347283D+01  0.111922D+01  0.120240D+01  0.100964D+02  0.403764D+02
                46            47            48            49            50 
      1  -0.110121D+01  0.382806D+01  0.771951D+01 -0.243628D+01 -0.414089D+00
      2   0.382806D+01 -0.232041D+02 -0.396940D+00 -0.414089D+00  0.111459D+03
      3   0.771951D+01 -0.396940D+00  0.647116D+01  0.220661D+01 -0.176692D+01
                51            52            53            54            55 
      1   0.220661D+01  0.113509D+01 -0.343054D+01  0.100709D+01  0.743022D-01
      2  -0.176692D+01 -0.343054D+01  0.437091D+02  0.842602D+01 -0.164271D+01
      3  -0.292868D+02  0.100709D+01  0.842602D+01 -0.705241D+01 -0.730113D+00
                56            57            58            59            60 
      1  -0.164271D+01 -0.730113D+00 -0.241585D+00 -0.270331D+00  0.239414D+00
      2   0.425874D+01  0.164777D+00 -0.270331D+00 -0.223697D+01  0.129491D+01
      3   0.164777D+00 -0.265068D+01  0.239414D+00  0.129491D+01 -0.269138D+01
                61            62            63            64            65 
      1   0.608357D+00  0.363677D-02 -0.535130D+00 -0.135067D+01  0.546291D+01
      2   0.363677D-02  0.534007D+01 -0.500156D+00  0.546291D+01 -0.654691D+01
      3  -0.535130D+00 -0.500156D+00  0.764043D+01  0.642074D+01  0.621237D-01
                66            67            68            69            70 
      1   0.642074D+01  0.140568D+01  0.115716D+01 -0.213997D+01  0.258354D+01
      2   0.621237D-01  0.115716D+01 -0.322039D+02  0.118502D+02 -0.463917D-01
      3   0.160039D+01 -0.213997D+01  0.118502D+02  0.328501D+02  0.141501D+01
                71            72            73            74            75 
      1  -0.463917D-01  0.141501D+01  0.405575D-02 -0.492695D-01 -0.368158D+00
      2   0.609553D+02 -0.133112D+01 -0.492695D-01  0.104196D+01 -0.642716D+00
      3  -0.133112D+01 -0.854049D+01 -0.368158D+00 -0.642716D+00 -0.128678D+01
                76            77            78            79            80 
      1   0.389536D+00 -0.312785D+00 -0.474764D+00  0.712877D+00 -0.669927D+00
      2  -0.312785D+00  0.119993D+02  0.484370D+01 -0.669927D+00  0.819693D+01
      3  -0.474764D+00  0.484370D+01  0.543834D+01 -0.111090D+01  0.784030D+01
                81            82            83            84            85 
      1  -0.111090D+01 -0.107812D+01  0.886712D+01  0.207532D+01  0.288144D+01
      2   0.784030D+01  0.886712D+01  0.345669D+01 -0.163007D+01 -0.150407D+01
      3   0.122501D+02  0.207532D+01 -0.163007D+01 -0.258284D+01 -0.165766D+01
                86            87            88            89            90 
      1  -0.150407D+01 -0.165766D+01 -0.119593D+01 -0.793251D+00 -0.223491D+01
      2   0.235271D+02  0.187612D+02 -0.793251D+00 -0.137933D+02  0.206712D+02
      3   0.187612D+02  0.205381D+02 -0.223491D+01  0.206712D+02  0.179827D+02
                91            92            93            94            95 
      1   0.975038D-01 -0.212735D+00 -0.429147D+00  0.723068D+00 -0.626520D+00
      2  -0.212735D+00 -0.332824D+01  0.382564D-01 -0.626520D+00  0.201976D+02
      3  -0.429147D+00  0.382564D-01  0.117228D+01  0.530766D-01  0.997104D-01
                96            97            98            99           100 
      1   0.530766D-01 -0.155236D+00  0.781116D-01 -0.145639D+00  0.516373D+00
      2   0.997104D-01  0.781116D-01 -0.346372D+01  0.156358D+01  0.918438D+00
      3  -0.557775D+00 -0.145639D+00  0.156358D+01  0.755772D+00 -0.186698D+01
               101           102           103           104           105 
      1   0.918438D+00 -0.186698D+01 -0.134214D+01  0.212575D+01  0.115259D+01
      2  -0.667470D+01  0.216521D+00  0.212575D+01 -0.401409D+02 -0.221069D+02
      3   0.216521D+00  0.821639D+01  0.115259D+01 -0.221069D+02 -0.172886D+00
               106           107           108           109           110 
      1  -0.621327D+00  0.407491D+01  0.997802D+00  0.444794D+00  0.234350D+01
      2   0.407491D+01  0.393764D+02 -0.189458D+02  0.234350D+01  0.117790D+02
      3   0.997802D+00 -0.189458D+02 -0.122348D+02 -0.358787D+01  0.134544D+01
               111           112           113           114           115 
      1  -0.358787D+01  0.155330D+01 -0.886353D+01 -0.479632D+01 -0.768746D+00
      2   0.134544D+01 -0.886353D+01  0.587181D+02  0.625358D+02 -0.195179D+01
      3  -0.977365D+00 -0.479632D+01  0.625358D+02  0.639304D+02  0.814936D+00
               116           117           118           119           120 
      1  -0.195179D+01  0.814936D+00  0.160922D-01 -0.110470D+01  0.326917D-01
      2  -0.472060D+02  0.264220D+01 -0.110470D+01  0.112175D+02 -0.101658D+01
      3   0.264220D+01 -0.480581D+01  0.326917D-01 -0.101658D+01 -0.800274D+01
               121           122           123           124           125 
      1   0.614454D+00  0.119095D+01 -0.675013D-01 -0.324868D+00 -0.639957D+00
      2   0.119095D+01  0.319820D+02 -0.620736D+01 -0.639957D+00  0.458078D+00
      3  -0.675013D-01 -0.620736D+01  0.581167D+01 -0.343819D-01  0.706304D+01
               126           127           128           129           130 
      1  -0.343819D-01 -0.803762D+01  0.329842D+01  0.523916D+01  0.199621D+01
      2   0.706304D+01  0.329842D+01 -0.120330D+02 -0.136290D+02  0.887950D+00
      3  -0.218592D+01  0.523916D+01 -0.136290D+02 -0.183834D+02 -0.236472D+01
               131           132           133           134           135 
      1   0.887950D+00 -0.236472D+01  0.151487D+01 -0.353039D+01 -0.422934D+01
      2   0.872274D+02  0.661045D+01 -0.353039D+01  0.363972D+02  0.816059D+01
      3   0.661045D+01  0.947182D+01 -0.422934D+01  0.816059D+01  0.268333D+02
               136           137           138           139           140 
      1   0.775731D+01 -0.245174D+01 -0.617492D+01 -0.785047D+00  0.117400D+01
      2  -0.245174D+01  0.575665D+01  0.657542D+01  0.117400D+01 -0.436091D+01
      3  -0.617492D+01  0.657542D+01  0.141551D+02  0.355544D+00 -0.839769D+00
               141           142           143           144           145 
      1   0.355544D+00 -0.372998D+00  0.705506D+00  0.164716D+01  0.599941D+01
      2  -0.839769D+00  0.705506D+00 -0.110527D+02 -0.200146D+01 -0.194072D+01
      3   0.196832D+01  0.164716D+01 -0.200146D+01 -0.596773D+01  0.956781D-02
               146           147           148           149           150 
      1  -0.194072D+01  0.956781D-02 -0.141551D+01 -0.292872D+01  0.325601D-01
      2   0.476275D+01  0.249994D+01 -0.292872D+01 -0.136554D+02 -0.760090D+00
      3   0.249994D+01 -0.299519D+01  0.325601D-01 -0.760090D+00  0.693858D+01
               151           152           153           154           155 
      1  -0.197245D+00  0.473051D-01 -0.918171D+00  0.642315D+00  0.175147D+01
      2   0.473051D-01 -0.928130D+01  0.286579D+01  0.175147D+01  0.221968D+01
      3  -0.918171D+00  0.286579D+01 -0.901592D+01 -0.567763D+00 -0.113719D+01
               156           157           158           159           160 
      1  -0.567763D+00  0.122335D+01  0.176137D+01 -0.369931D+00 -0.114522D+00
      2  -0.113719D+01  0.176137D+01  0.826011D+01 -0.257042D+01 -0.181407D+00
      3   0.232469D+01 -0.369931D+00 -0.257042D+01  0.222642D+01  0.772494D+00
               161           162           163           164           165 
      1  -0.181407D+00  0.772494D+00 -0.655401D+01  0.176941D+01 -0.148356D+01
      2   0.892958D+00  0.142608D+01  0.176941D+01 -0.166717D+01  0.675711D+00
      3   0.142608D+01  0.150191D+00 -0.148356D+01  0.675711D+00 -0.336390D+01
               166           167           168           169           170 
      1   0.855128D+00 -0.940550D+00  0.404983D+00 -0.792913D-02 -0.345413D-01
      2  -0.940550D+00  0.140556D+01 -0.484642D+00 -0.345413D-01  0.580216D+00
      3   0.404983D+00 -0.484642D+00 -0.930273D+00 -0.103697D+01  0.250469D+00
               171           172           173           174           175 
      1  -0.103697D+01 -0.692433D+01 -0.666498D+00  0.188328D+01  0.109286D+00
      2   0.250469D+00 -0.666498D+00 -0.281319D+01 -0.120178D+01  0.170210D+01
      3   0.317004D+00  0.188328D+01 -0.120178D+01  0.451933D+01 -0.606880D+00
               176           177           178           179           180 
      1   0.170210D+01 -0.606880D+00  0.723806D+00 -0.439100D+00  0.238937D+01
      2   0.547755D+01  0.153659D+01 -0.439100D+00 -0.838281D+00 -0.617189D+01
      3   0.153659D+01 -0.860149D+01  0.238937D+01 -0.617189D+01  0.284482D+01
               181           182           183           184           185 
      1   0.783536D+01  0.970238D+00 -0.305640D+01 -0.894639D-01  0.792396D+00
      2   0.970238D+00  0.179997D+01 -0.204516D+00  0.792396D+00  0.280800D-01
      3  -0.305640D+01 -0.204516D+00  0.339059D+01 -0.352297D-01 -0.681865D+00
               186           187           188           189           190 
      1  -0.352297D-01 -0.731564D+00 -0.832740D-01  0.126819D+01 -0.239930D+00
      2  -0.681865D+00 -0.832740D-01  0.203759D+00  0.882074D+00  0.863752D+00
      3   0.764227D+00  0.126819D+01  0.882074D+00 -0.104748D+01 -0.198789D+01
               191           192           193           194           195 
      1   0.863752D+00 -0.198789D+01  0.557495D+00 -0.724122D+00  0.424314D+00
      2  -0.699984D+00  0.115603D+01 -0.724122D+00  0.235906D+01 -0.373850D+01
      3   0.115603D+01 -0.409361D+01  0.424314D+00 -0.373850D+01  0.627470D+01
               196           197           198           199           200 
      1  -0.972829D+00  0.220718D+00 -0.138162D+01  0.692433D+01  0.666498D+00
      2   0.220718D+00 -0.499633D+01  0.436034D+01  0.666498D+00  0.281319D+01
      3  -0.138162D+01  0.436034D+01 -0.134049D+02  0.188328D+01 -0.120178D+01
               201           202           203           204           205 
      1   0.188328D+01 -0.109286D+00 -0.170210D+01 -0.606880D+00  0.723806D+00
      2  -0.120178D+01 -0.170210D+01 -0.547755D+01  0.153659D+01 -0.439100D+00
      3  -0.451933D+01 -0.606880D+00  0.153659D+01  0.860149D+01 -0.238937D+01
               206           207           208           209           210 
      1  -0.439100D+00 -0.238937D+01  0.239930D+00 -0.863752D+00 -0.198789D+01
      2  -0.838281D+00  0.617189D+01 -0.863752D+00  0.699984D+00  0.115603D+01
      3   0.617189D+01  0.284482D+01 -0.198789D+01  0.115603D+01  0.409361D+01
               211           212           213           214           215 
      1  -0.557495D+00  0.724122D+00  0.424314D+00 -0.972829D+00  0.220718D+00
      2   0.724122D+00 -0.235906D+01 -0.373850D+01  0.220718D+00 -0.499633D+01
      3   0.424314D+00 -0.373850D+01 -0.627470D+01  0.138162D+01 -0.436034D+01
               216           217           218           219           220 
      1   0.138162D+01 -0.783536D+01 -0.970238D+00 -0.305640D+01  0.894639D-01
      2  -0.436034D+01 -0.970238D+00 -0.179997D+01 -0.204516D+00 -0.792396D+00
      3  -0.134049D+02 -0.305640D+01 -0.204516D+00 -0.339059D+01 -0.352297D-01
               221           222           223           224           225 
      1  -0.792396D+00 -0.352297D-01 -0.731564D+00 -0.832740D-01 -0.126819D+01
      2  -0.280800D-01 -0.681865D+00 -0.832740D-01  0.203759D+00 -0.882074D+00
      3  -0.681865D+00 -0.764227D+00 -0.126819D+01 -0.882074D+00 -0.104748D+01
               226           227           228           229           230 
      1  -0.599941D+01  0.194072D+01  0.956781D-02  0.141551D+01  0.292872D+01
      2   0.194072D+01 -0.476275D+01  0.249994D+01  0.292872D+01  0.136554D+02
      3   0.956781D-02  0.249994D+01  0.299519D+01  0.325601D-01 -0.760090D+00
               231           232           233           234           235 
      1   0.325601D-01 -0.197245D+00  0.473051D-01  0.918171D+00  0.655401D+01
      2  -0.760090D+00  0.473051D-01 -0.928130D+01 -0.286579D+01 -0.176941D+01
      3  -0.693858D+01  0.918171D+00 -0.286579D+01 -0.901592D+01 -0.148356D+01
               236           237           238           239           240 
      1  -0.176941D+01 -0.148356D+01 -0.855128D+00  0.940550D+00  0.404983D+00
      2   0.166717D+01  0.675711D+00  0.940550D+00 -0.140556D+01 -0.484642D+00
      3   0.675711D+00  0.336390D+01  0.404983D+00 -0.484642D+00  0.930273D+00
               241           242           243           244           245 
      1  -0.792913D-02 -0.345413D-01  0.103697D+01 -0.642315D+00 -0.175147D+01
      2  -0.345413D-01  0.580216D+00 -0.250469D+00 -0.175147D+01 -0.221968D+01
      3   0.103697D+01 -0.250469D+00  0.317004D+00 -0.567763D+00 -0.113719D+01
               246           247           248           249           250 
      1  -0.567763D+00 -0.122335D+01 -0.176137D+01 -0.369931D+00 -0.114522D+00
      2  -0.113719D+01 -0.176137D+01 -0.826011D+01 -0.257042D+01 -0.181407D+00
      3  -0.232469D+01 -0.369931D+00 -0.257042D+01 -0.222642D+01 -0.772494D+00
               251           252           253           254           255 
      1  -0.181407D+00 -0.772494D+00  0.803762D+01 -0.329842D+01  0.523916D+01
      2   0.892958D+00 -0.142608D+01 -0.329842D+01  0.120330D+02 -0.136290D+02
      3  -0.142608D+01  0.150191D+00  0.523916D+01 -0.136290D+02  0.183834D+02
               256           257           258           259           260 
      1  -0.199621D+01 -0.887950D+00 -0.236472D+01  0.151487D+01 -0.353039D+01
      2  -0.887950D+00 -0.872274D+02  0.661045D+01 -0.353039D+01  0.363972D+02
      3  -0.236472D+01  0.661045D+01 -0.947182D+01  0.422934D+01 -0.816059D+01
               261           262           263           264           265 
      1   0.422934D+01 -0.775731D+01  0.245174D+01 -0.617492D+01  0.785047D+00
      2  -0.816059D+01  0.245174D+01 -0.575665D+01  0.657542D+01 -0.117400D+01
      3   0.268333D+02 -0.617492D+01  0.657542D+01 -0.141551D+02  0.355544D+00
               266           267           268           269           270 
      1  -0.117400D+01  0.355544D+00 -0.372998D+00  0.705506D+00 -0.164716D+01
      2   0.436091D+01 -0.839769D+00  0.705506D+00 -0.110527D+02  0.200146D+01
      3  -0.839769D+00 -0.196832D+01 -0.164716D+01  0.200146D+01 -0.596773D+01
               271           272           273           274           275 
      1  -0.444794D+00 -0.234350D+01 -0.358787D+01 -0.155330D+01  0.886353D+01
      2  -0.234350D+01 -0.117790D+02  0.134544D+01  0.886353D+01 -0.587181D+02
      3  -0.358787D+01  0.134544D+01  0.977365D+00 -0.479632D+01  0.625358D+02
               276           277           278           279           280 
      1  -0.479632D+01 -0.768746D+00 -0.195179D+01 -0.814936D+00 -0.160922D-01
      2   0.625358D+02 -0.195179D+01 -0.472060D+02 -0.264220D+01  0.110470D+01
      3  -0.639304D+02 -0.814936D+00 -0.264220D+01 -0.480581D+01  0.326917D-01
               281           282           283           284           285 
      1   0.110470D+01  0.326917D-01 -0.614454D+00 -0.119095D+01 -0.675013D-01
      2  -0.112175D+02 -0.101658D+01 -0.119095D+01 -0.319820D+02 -0.620736D+01
      3  -0.101658D+01  0.800274D+01 -0.675013D-01 -0.620736D+01 -0.581167D+01
               286           287           288           289           290 
      1  -0.324868D+00 -0.639957D+00  0.343819D-01 -0.516373D+00 -0.918438D+00
      2  -0.639957D+00  0.458078D+00 -0.706304D+01 -0.918438D+00  0.667470D+01
      3   0.343819D-01 -0.706304D+01 -0.218592D+01 -0.186698D+01  0.216521D+00
               291           292           293           294           295 
      1  -0.186698D+01  0.134214D+01 -0.212575D+01  0.115259D+01 -0.621327D+00
      2   0.216521D+00 -0.212575D+01  0.401409D+02 -0.221069D+02  0.407491D+01
      3  -0.821639D+01  0.115259D+01 -0.221069D+02  0.172886D+00 -0.997802D+00
               296           297           298           299           300 
      1   0.407491D+01 -0.997802D+00  0.107812D+01 -0.886712D+01  0.207532D+01
      2   0.393764D+02  0.189458D+02 -0.886712D+01 -0.345669D+01 -0.163007D+01
      3   0.189458D+02 -0.122348D+02  0.207532D+01 -0.163007D+01  0.258284D+01
               301           302           303           304           305 
      1  -0.288144D+01  0.150407D+01 -0.165766D+01 -0.119593D+01 -0.793251D+00
      2   0.150407D+01 -0.235271D+02  0.187612D+02 -0.793251D+00 -0.137933D+02
      3  -0.165766D+01  0.187612D+02 -0.205381D+02  0.223491D+01 -0.206712D+02
               306           307           308           309           310 
      1   0.223491D+01 -0.975038D-01  0.212735D+00 -0.429147D+00 -0.723068D+00
      2  -0.206712D+02  0.212735D+00  0.332824D+01  0.382564D-01  0.626520D+00
      3   0.179827D+02 -0.429147D+00  0.382564D-01 -0.117228D+01  0.530766D-01
               311           312           313           314           315 
      1   0.626520D+00  0.530766D-01 -0.155236D+00  0.781116D-01  0.145639D+00
      2  -0.201976D+02  0.997104D-01  0.781116D-01 -0.346372D+01 -0.156358D+01
      3   0.997104D-01  0.557775D+00  0.145639D+00 -0.156358D+01  0.755772D+00
               316           317           318           319           320 
      1   0.135067D+01 -0.546291D+01  0.642074D+01 -0.140568D+01 -0.115716D+01
      2  -0.546291D+01  0.654691D+01  0.621236D-01 -0.115716D+01  0.322039D+02
      3   0.642074D+01  0.621236D-01 -0.160039D+01 -0.213997D+01  0.118502D+02
               321           322           323           324           325 
      1  -0.213997D+01  0.258354D+01 -0.463917D-01 -0.141501D+01 -0.405575D-02
      2   0.118502D+02 -0.463917D-01  0.609553D+02  0.133112D+01  0.492695D-01
      3  -0.328501D+02 -0.141501D+01  0.133112D+01 -0.854049D+01 -0.368158D+00
               326           327           328           329           330 
      1   0.492695D-01 -0.368158D+00 -0.389536D+00  0.312785D+00 -0.474764D+00
      2  -0.104196D+01 -0.642716D+00  0.312785D+00 -0.119993D+02  0.484370D+01
      3  -0.642716D+00  0.128678D+01 -0.474764D+00  0.484370D+01 -0.543834D+01
               331           332           333           334           335 
      1   0.712877D+00 -0.669927D+00  0.111090D+01  0.110121D+01 -0.382806D+01
      2  -0.669927D+00  0.819693D+01 -0.784030D+01 -0.382806D+01  0.232041D+02
      3   0.111090D+01 -0.784030D+01  0.122501D+02  0.771951D+01 -0.396940D+00
               336           337           338           339           340 
      1   0.771951D+01  0.243628D+01  0.414089D+00  0.220661D+01  0.113509D+01
      2  -0.396940D+00  0.414089D+00 -0.111459D+03 -0.176692D+01 -0.343054D+01
      3  -0.647116D+01  0.220661D+01 -0.176692D+01  0.292868D+02 -0.100709D+01
               341           342           343           344           345 
      1  -0.343054D+01 -0.100709D+01 -0.743022D-01  0.164271D+01 -0.730113D+00
      2   0.437091D+02 -0.842602D+01  0.164271D+01 -0.425874D+01  0.164777D+00
      3  -0.842602D+01 -0.705241D+01 -0.730113D+00  0.164777D+00  0.265068D+01
               346           347           348           349           350 
      1   0.241585D+00  0.270331D+00  0.239414D+00  0.608357D+00  0.363676D-02
      2   0.270331D+00  0.223697D+01  0.129491D+01  0.363676D-02  0.534007D+01
      3   0.239414D+00  0.129491D+01  0.269138D+01  0.535130D+00  0.500156D+00
               351 
      1   0.535130D+00
      2   0.500156D+00
      3   0.764043D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.183500D-05 -0.286889D+02  0.000000D+00 -0.971811D-05
      2   0.000000D+00  0.000000D+00 -0.146586D+03  0.000000D+00 -0.256565D-05
      3  -0.256652D+01 -0.155378D+04  0.000000D+00 -0.431295D+02 -0.543768D+02
                 6             7             8             9            10 
      1   0.267092D+02 -0.160419D+03 -0.544656D+04  0.124708D-05  0.987738D+02
      2  -0.921955D+02 -0.443920D+02 -0.259425D+04  0.163814D-05  0.492561D+02
      3   0.000000D+00  0.000000D+00  0.815459D-05 -0.364691D+04 -0.200900D+01
                11            12            13            14            15 
      1   0.322320D+03  0.993526D+02 -0.101197D+03 -0.472698D+04  0.271228D+03
      2  -0.721480D+02 -0.175289D+01 -0.203255D+02 -0.214103D+04  0.138382D+03
      3   0.521400D+03  0.140595D+04 -0.174873D+02  0.529041D+03 -0.238484D+04
                16            17            18            19            20 
      1  -0.642179D+02 -0.334686D+04 -0.164206D+03 -0.130723D+03 -0.441668D+03
      2  -0.212985D+02 -0.120125D+04  0.961382D+02 -0.686528D+02  0.124532D+03
      3   0.118795D+02  0.680909D+03 -0.320641D+04  0.331749D+02 -0.592208D+03
                21            22            23            24            25 
      1  -0.730984D+02 -0.184094D+03 -0.433052D+04  0.572295D+03  0.115310D+03
      2   0.517119D+02 -0.489761D+02 -0.223795D+04 -0.142549D+03  0.219617D+02
      3  -0.228917D+04  0.167455D+02 -0.141986D+04 -0.306338D+04  0.493478D+01
                26            27            28            29            30 
      1   0.656288D+04  0.276142D+02  0.130723D+03  0.441668D+03 -0.730984D+02
      2   0.291787D+04 -0.343761D+02  0.686528D+02 -0.124532D+03  0.517119D+02
      3  -0.224008D+03  0.409886D+04  0.331749D+02 -0.592208D+03  0.228917D+04
                31            32            33            34            35 
      1   0.184094D+03  0.433052D+04  0.572295D+03  0.115310D+03  0.656288D+04
      2   0.489761D+02  0.223795D+04 -0.142549D+03  0.219617D+02  0.291787D+04
      3   0.167455D+02 -0.141986D+04  0.306338D+04 -0.493478D+01  0.224008D+03
                36            37            38            39            40 
      1  -0.276142D+02 -0.987738D+02 -0.322320D+03  0.993526D+02  0.101197D+03
      2   0.343761D+02 -0.492561D+02  0.721480D+02 -0.175289D+01  0.203255D+02
      3   0.409886D+04 -0.200900D+01  0.521400D+03 -0.140595D+04 -0.174873D+02
                41            42            43            44            45 
      1   0.472698D+04  0.271228D+03 -0.642179D+02 -0.334686D+04  0.164206D+03
      2   0.214103D+04  0.138382D+03 -0.212985D+02 -0.120125D+04 -0.961382D+02
      3   0.529041D+03  0.238484D+04 -0.118795D+02 -0.680909D+03 -0.320641D+04
                46            47            48            49            50 
      1  -0.723740D+02  0.187824D+03 -0.689962D+02 -0.350481D+02 -0.958787D+03
      2  -0.176433D+02  0.234298D+03  0.129620D+02  0.129682D+02 -0.608935D+03
      3  -0.822538D+01  0.100487D+02 -0.201467D+03  0.365086D+02 -0.699277D+03
                51            52            53            54            55 
      1   0.269159D+03  0.547762D+01  0.195516D+03  0.124141D+02  0.211494D+02
      2  -0.962807D+02  0.729943D+01 -0.754115D+02 -0.179296D+03  0.674966D+01
      3  -0.424418D+03  0.153917D+02 -0.978492D+03  0.578277D+03 -0.588802D+01
                56            57            58            59            60 
      1  -0.557211D+02  0.112924D+02  0.390762D+00  0.165504D+02  0.223353D+02
      2  -0.562687D+02  0.407858D+00  0.276287D+01  0.110421D+02 -0.184758D+01
      3   0.229300D+01  0.124336D+03 -0.249188D+01 -0.199889D+02  0.365179D+02
                61            62            63            64            65 
      1   0.284732D+01 -0.485527D+02 -0.348260D+02 -0.353407D+02  0.878348D+02
      2  -0.396510D+01 -0.285394D+02 -0.127263D+01 -0.388448D+01  0.592222D+02
      3   0.673540D+01  0.889103D-01 -0.215702D+02  0.113731D+02 -0.196523D+02
                66            67            68            69            70 
      1  -0.149726D+02  0.125014D+02 -0.149788D+03 -0.215877D+03 -0.153687D+02
      2  -0.965283D+01 -0.931153D+01  0.119690D+03  0.155460D+03 -0.936066D+01
      3  -0.809923D+02 -0.425949D+02  0.103295D+04 -0.219748D+03  0.114103D+02
                71            72            73            74            75 
      1  -0.391112D+03  0.574206D+02  0.272956D+01 -0.147523D+02  0.126508D+02
      2  -0.325556D+03 -0.826840D+02  0.929185D+00 -0.209204D+02  0.173862D+01
      3  -0.525295D+03 -0.105483D+03 -0.637956D+00 -0.192235D+02  0.108741D+02
                76            77            78            79            80 
      1  -0.225455D+01 -0.108989D+03 -0.169707D+01  0.226974D+01 -0.452028D+02
      2  -0.310868D+01 -0.482578D+02  0.210082D+01 -0.420132D+01 -0.156637D+02
      3   0.193961D+01  0.523161D+01 -0.112903D+03  0.154309D+02 -0.130688D+02
                81            82            83            84            85 
      1  -0.309916D+02  0.702484D+01 -0.393305D+02  0.226310D+02  0.108193D+02
      2  -0.340125D+01 -0.254803D+01 -0.426618D+02  0.127118D+02 -0.508511D+01
      3  -0.251907D+02 -0.103036D+02  0.694986D+02  0.575774D+02  0.107378D+01
                86            87            88            89            90 
      1  -0.110295D+03 -0.126171D+03  0.125941D+02 -0.223012D+02 -0.449238D+02
      2   0.153085D+02  0.509936D+02  0.498535D+01  0.160410D+03  0.174483D+03
      3   0.398913D+03 -0.140484D+03 -0.360295D+02  0.108207D+04  0.128444D+03
                91            92            93            94            95 
      1  -0.370616D+01  0.333404D+02 -0.150772D+01 -0.376129D+01 -0.237515D+02
      2  -0.187504D+01  0.341916D+02  0.283868D+00 -0.595072D+00 -0.274747D+02
      3   0.635425D+01 -0.597853D+02 -0.837997D+02  0.759669D+01 -0.817271D+01
                96            97            98            99           100 
      1   0.980572D+01  0.136721D+00 -0.135427D+02 -0.941109D+00 -0.379671D+01
      2   0.208396D+01 -0.106981D+01 -0.277877D+01  0.230072D+01 -0.129515D+02
      3  -0.468583D+02 -0.102695D+01  0.107355D+02 -0.149316D+02  0.278716D+02
               101           102           103           104           105 
      1   0.441429D+02 -0.588779D+00  0.665397D+01  0.294704D+03 -0.178799D+03
      2   0.124175D+03  0.903779D+02  0.538756D+00  0.109597D+03 -0.130576D+03
      3   0.378224D+03 -0.319074D+03  0.373599D+02 -0.762129D+03 -0.319968D+03
               106           107           108           109           110 
      1  -0.288115D+02 -0.932487D+03  0.146853D+03  0.137776D+02 -0.135165D+03
      2  -0.125174D+02 -0.549982D+03 -0.728279D+02  0.172967D+01 -0.105135D+03
      3  -0.737218D+01 -0.516623D+03 -0.265597D+03 -0.107414D+02 -0.591678D+02
               111           112           113           114           115 
      1  -0.117507D+02  0.817995D+02 -0.108942D+02 -0.680939D+03  0.114284D+02
      2   0.177396D+02  0.219979D+02  0.217250D+03  0.615281D+02  0.120096D+02
      3   0.129080D+03 -0.108392D+02  0.915720D+03  0.257819D+03 -0.263186D+02
               116           117           118           119           120 
      1   0.938468D+03  0.767817D+02  0.227681D+02 -0.778920D+02  0.162773D+02
      2   0.554463D+03  0.192351D+03  0.150160D+02 -0.142136D+03 -0.338683D+02
      3   0.896522D+03  0.438161D+03 -0.210180D+02  0.620847D+02  0.435884D+03
               121           122           123           124           125 
      1  -0.110659D+02 -0.371393D+03  0.216786D+01  0.451624D+01 -0.619358D+02
      2   0.710395D+00 -0.189213D+03  0.804346D+01  0.163782D+01 -0.261665D+02
      3   0.413065D+01 -0.232493D+01 -0.399742D+03 -0.906043D+01  0.595796D+01
               126           127           128           129           130 
      1  -0.274860D+02 -0.228656D+02  0.320421D+03  0.978491D+02 -0.171951D+02
      2  -0.114729D+02 -0.136816D+02  0.796889D+02  0.286463D+02 -0.240670D+01
      3   0.517809D+01 -0.225587D+02  0.379691D+03  0.546663D+03  0.177960D+02
               131           132           133           134           135 
      1  -0.129491D+04 -0.541177D+02  0.310735D+02 -0.368824D+03 -0.104430D+03
      2  -0.598590D+03 -0.119102D+02  0.559352D+01 -0.225965D+03 -0.728491D+01
      3  -0.897326D+01 -0.848334D+03  0.125229D+02  0.217416D+03 -0.658224D+02
               136           137           138           139           140 
      1   0.237990D+02 -0.902432D+02 -0.637473D+02 -0.478702D+01  0.414921D+02
      2   0.161152D+02 -0.328938D+02 -0.230168D+01 -0.163375D+01  0.170650D+02
      3   0.385300D+01  0.373494D+02 -0.422662D+02 -0.142733D+00 -0.167707D+01
               141           142           143           144           145 
      1  -0.680209D+01 -0.692080D+01  0.115632D+03  0.365389D+02  0.675485D+01
      2   0.261926D+01 -0.311476D+01  0.425702D+02  0.672468D+01  0.207024D+02
      3  -0.937684D+02  0.514020D+01  0.588592D+02 -0.519853D+02  0.139423D+02
               146           147           148           149           150 
      1  -0.130031D+03 -0.159832D+02  0.211417D+02  0.227587D+03 -0.868308D+01
      2  -0.790982D+02  0.530295D+01 -0.321631D+01  0.813828D+02  0.944022D+01
      3  -0.154885D+02 -0.191835D+02 -0.399242D+01  0.844350D+02  0.246746D+03
               151           152           153           154           155 
      1   0.368376D+01  0.162404D+03 -0.671993D+01 -0.631549D+01 -0.813494D+01
      2  -0.197762D+01  0.571344D+02 -0.709943D+01  0.177785D+01  0.585566D+01
      3   0.221562D+01  0.631728D+02  0.247229D+03  0.208581D+00  0.114184D+02
               156           157           158           159           160 
      1   0.126064D+01 -0.733773D+01 -0.458334D+02  0.372622D+01 -0.918272D+00
      2   0.537483D+00  0.432786D+01 -0.488170D+01  0.200363D+01 -0.846874D+00
      3  -0.112780D+02  0.497481D+01  0.406572D+01 -0.169539D+02 -0.326807D+00
               161           162           163           164           165 
      1  -0.205207D+02 -0.981972D+01 -0.383178D+01  0.121897D+02  0.546697D+01
      2  -0.789488D+01  0.875645D+00 -0.224240D+02  0.916067D+01 -0.152169D+01
      3  -0.764988D+01 -0.257035D+02 -0.129875D+02 -0.424922D+00  0.767297D+01
               166           167           168           169           170 
      1   0.276468D+01 -0.330012D+01  0.167841D+01  0.247110D+01 -0.117007D+02
      2   0.267280D+01 -0.681455D+00  0.499961D+00 -0.474399D+00 -0.760181D+01
      3   0.258120D+01 -0.625653D+01 -0.116129D+01  0.745647D-01 -0.100666D+02
               171           172           173           174           175 
      1  -0.455351D+01  0.339683D+01  0.672436D+02  0.133367D+01 -0.104884D+02
      2  -0.452036D+01 -0.323889D+02  0.285081D+02  0.161064D+02  0.620101D+00
      3   0.118034D+02 -0.500478D+01 -0.374121D+01  0.727392D+02  0.179924D+01
               176           177           178           179           180 
      1  -0.868964D+02 -0.239061D+01  0.122781D+01  0.482261D+02  0.347861D+02
      2  -0.240467D+02 -0.935885D+01  0.297003D+01  0.130559D+02  0.107907D+02
      3  -0.290191D+02 -0.891301D+02  0.161495D+01  0.419854D+01  0.687826D+02
               181           182           183           184           185 
      1  -0.314563D+01 -0.153620D+02 -0.179783D+01 -0.386391D+01 -0.291023D-01
      2   0.366223D+02  0.272069D+01 -0.947664D+01 -0.450281D+00  0.209845D+01
      3   0.716523D+01 -0.762367D+01 -0.144789D+02  0.421745D+00  0.490640D+01
               186           187           188           189           190 
      1   0.136093D+01 -0.585459D+00 -0.395048D+01 -0.483105D+01 -0.316082D+01
      2   0.305461D+00 -0.376420D+01 -0.149457D+01  0.768978D+01 -0.211376D+01
      3   0.924918D+00 -0.599810D+00  0.567556D+01 -0.766258D+01 -0.360255D+00
               191           192           193           194           195 
      1  -0.389897D+01 -0.132735D+01  0.380639D+01 -0.333921D+01  0.119402D+02
      2   0.132039D+01 -0.102348D+02  0.375322D+01 -0.162970D+01  0.516072D+01
      3  -0.758938D+01 -0.205595D+02  0.209480D+01  0.668023D+01  0.170977D+02
               196           197           198           199           200 
      1   0.107060D+01  0.569317D+02 -0.109686D+02 -0.339683D+01 -0.672436D+02
      2  -0.758019D+01  0.228499D+02 -0.104787D+02  0.323889D+02 -0.285081D+02
      3  -0.220244D+01  0.105631D+02  0.370853D+02 -0.500478D+01 -0.374121D+01
               201           202           203           204           205 
      1   0.133367D+01  0.104884D+02  0.868964D+02 -0.239061D+01  0.122781D+01
      2   0.161064D+02 -0.620102D+00  0.240467D+02 -0.935885D+01  0.297003D+01
      3  -0.727392D+02  0.179924D+01 -0.290191D+02  0.891301D+02 -0.161495D+01
               206           207           208           209           210 
      1   0.482261D+02 -0.347861D+02  0.316082D+01  0.389897D+01 -0.132735D+01
      2   0.130559D+02 -0.107907D+02  0.211376D+01 -0.132040D+01 -0.102348D+02
      3  -0.419854D+01  0.687826D+02 -0.360255D+00 -0.758938D+01  0.205595D+02
               211           212           213           214           215 
      1  -0.380639D+01  0.333921D+01  0.119402D+02  0.107060D+01  0.569317D+02
      2  -0.375322D+01  0.162970D+01  0.516072D+01 -0.758019D+01  0.228499D+02
      3   0.209480D+01  0.668023D+01 -0.170977D+02  0.220244D+01 -0.105631D+02
               216           217           218           219           220 
      1   0.109686D+02  0.314563D+01  0.153620D+02 -0.179783D+01  0.386391D+01
      2   0.104787D+02 -0.366223D+02 -0.272069D+01 -0.947664D+01  0.450281D+00
      3   0.370853D+02  0.716523D+01 -0.762367D+01  0.144789D+02  0.421745D+00
               221           222           223           224           225 
      1   0.291023D-01  0.136093D+01 -0.585459D+00 -0.395048D+01  0.483105D+01
      2  -0.209845D+01  0.305461D+00 -0.376420D+01 -0.149457D+01 -0.768978D+01
      3   0.490640D+01 -0.924918D+00  0.599810D+00 -0.567556D+01 -0.766258D+01
               226           227           228           229           230 
      1  -0.675485D+01  0.130031D+03 -0.159832D+02 -0.211417D+02 -0.227587D+03
      2  -0.207024D+02  0.790982D+02  0.530295D+01  0.321631D+01 -0.813828D+02
      3   0.139423D+02 -0.154885D+02  0.191835D+02 -0.399242D+01  0.844350D+02
               231           232           233           234           235 
      1  -0.868308D+01  0.368376D+01  0.162404D+03  0.671993D+01  0.383178D+01
      2   0.944022D+01 -0.197762D+01  0.571344D+02  0.709943D+01  0.224240D+02
      3  -0.246746D+03 -0.221562D+01 -0.631728D+02  0.247229D+03 -0.129875D+02
               236           237           238           239           240 
      1  -0.121897D+02  0.546697D+01 -0.276468D+01  0.330012D+01  0.167841D+01
      2  -0.916067D+01 -0.152169D+01 -0.267280D+01  0.681455D+00  0.499961D+00
      3  -0.424922D+00 -0.767297D+01  0.258120D+01 -0.625653D+01  0.116129D+01
               241           242           243           244           245 
      1   0.247110D+01 -0.117007D+02  0.455351D+01  0.631549D+01  0.813494D+01
      2  -0.474399D+00 -0.760181D+01  0.452036D+01 -0.177785D+01 -0.585566D+01
      3  -0.745646D-01  0.100666D+02  0.118034D+02  0.208581D+00  0.114184D+02
               246           247           248           249           250 
      1   0.126064D+01  0.733773D+01  0.458334D+02  0.372622D+01 -0.918272D+00
      2   0.537483D+00 -0.432786D+01  0.488170D+01  0.200363D+01 -0.846874D+00
      3   0.112780D+02  0.497481D+01  0.406572D+01  0.169539D+02  0.326807D+00
               251           252           253           254           255 
      1  -0.205207D+02  0.981972D+01  0.228656D+02 -0.320421D+03  0.978491D+02
      2  -0.789488D+01 -0.875645D+00  0.136816D+02 -0.796889D+02  0.286463D+02
      3   0.764988D+01 -0.257035D+02 -0.225587D+02  0.379691D+03 -0.546663D+03
               256           257           258           259           260 
      1   0.171951D+02  0.129491D+04 -0.541177D+02  0.310735D+02 -0.368825D+03
      2   0.240670D+01  0.598590D+03 -0.119102D+02  0.559352D+01 -0.225965D+03
      3   0.177960D+02 -0.897326D+01  0.848334D+03 -0.125229D+02 -0.217416D+03
               261           262           263           264           265 
      1   0.104430D+03 -0.237990D+02  0.902432D+02 -0.637473D+02  0.478702D+01
      2   0.728491D+01 -0.161152D+02  0.328938D+02 -0.230168D+01  0.163375D+01
      3  -0.658224D+02  0.385300D+01  0.373494D+02  0.422662D+02 -0.142733D+00
               266           267           268           269           270 
      1  -0.414921D+02 -0.680209D+01 -0.692080D+01  0.115632D+03 -0.365389D+02
      2  -0.170650D+02  0.261926D+01 -0.311476D+01  0.425702D+02 -0.672468D+01
      3  -0.167707D+01  0.937684D+02 -0.514020D+01 -0.588592D+02 -0.519853D+02
               271           272           273           274           275 
      1  -0.137776D+02  0.135165D+03 -0.117507D+02 -0.817995D+02  0.108942D+02
      2  -0.172967D+01  0.105135D+03  0.177396D+02 -0.219979D+02 -0.217250D+03
      3  -0.107414D+02 -0.591678D+02 -0.129080D+03 -0.108392D+02  0.915720D+03
               276           277           278           279           280 
      1  -0.680939D+03  0.114284D+02  0.938468D+03 -0.767817D+02 -0.227681D+02
      2   0.615281D+02  0.120096D+02  0.554463D+03 -0.192351D+03 -0.150160D+02
      3  -0.257819D+03  0.263186D+02 -0.896522D+03  0.438161D+03 -0.210180D+02
               281           282           283           284           285 
      1   0.778920D+02  0.162773D+02  0.110659D+02  0.371393D+03  0.216786D+01
      2   0.142136D+03 -0.338683D+02 -0.710395D+00  0.189213D+03  0.804346D+01
      3   0.620847D+02 -0.435884D+03  0.413065D+01 -0.232493D+01  0.399742D+03
               286           287           288           289           290 
      1   0.451624D+01 -0.619358D+02  0.274860D+02  0.379671D+01 -0.441429D+02
      2   0.163782D+01 -0.261665D+02  0.114729D+02  0.129515D+02 -0.124175D+03
      3   0.906043D+01 -0.595796D+01  0.517809D+01  0.278716D+02  0.378224D+03
               291           292           293           294           295 
      1  -0.588777D+00 -0.665397D+01 -0.294704D+03 -0.178799D+03 -0.288115D+02
      2   0.903779D+02 -0.538756D+00 -0.109597D+03 -0.130576D+03 -0.125174D+02
      3   0.319074D+03  0.373599D+02 -0.762129D+03  0.319968D+03  0.737218D+01
               296           297           298           299           300 
      1  -0.932487D+03 -0.146853D+03 -0.702485D+01  0.393305D+02  0.226310D+02
      2  -0.549982D+03  0.728279D+02  0.254803D+01  0.426618D+02  0.127118D+02
      3   0.516623D+03 -0.265597D+03 -0.103036D+02  0.694986D+02 -0.575774D+02
               301           302           303           304           305 
      1  -0.108193D+02  0.110295D+03 -0.126171D+03  0.125941D+02 -0.223012D+02
      2   0.508511D+01 -0.153085D+02  0.509936D+02  0.498535D+01  0.160410D+03
      3   0.107378D+01  0.398913D+03  0.140484D+03  0.360295D+02 -0.108207D+04
               306           307           308           309           310 
      1   0.449238D+02  0.370616D+01 -0.333404D+02 -0.150772D+01  0.376129D+01
      2  -0.174483D+03  0.187504D+01 -0.341916D+02  0.283868D+00  0.595072D+00
      3   0.128444D+03  0.635425D+01 -0.597853D+02  0.837997D+02  0.759669D+01
               311           312           313           314           315 
      1   0.237515D+02  0.980572D+01  0.136721D+00 -0.135427D+02  0.941109D+00
      2   0.274747D+02  0.208396D+01 -0.106981D+01 -0.277877D+01 -0.230072D+01
      3  -0.817271D+01  0.468583D+02  0.102695D+01 -0.107355D+02 -0.149316D+02
               316           317           318           319           320 
      1   0.353407D+02 -0.878348D+02 -0.149726D+02 -0.125014D+02  0.149788D+03
      2   0.388448D+01 -0.592222D+02 -0.965283D+01  0.931153D+01 -0.119690D+03
      3   0.113731D+02 -0.196523D+02  0.809923D+02 -0.425949D+02  0.103295D+04
               321           322           323           324           325 
      1  -0.215877D+03 -0.153687D+02 -0.391112D+03 -0.574206D+02 -0.272956D+01
      2   0.155460D+03 -0.936066D+01 -0.325556D+03  0.826840D+02 -0.929185D+00
      3   0.219748D+03 -0.114103D+02  0.525295D+03 -0.105483D+03 -0.637956D+00
               326           327           328           329           330 
      1   0.147523D+02  0.126508D+02  0.225455D+01  0.108989D+03 -0.169707D+01
      2   0.209204D+02  0.173862D+01  0.310868D+01  0.482578D+02  0.210082D+01
      3  -0.192235D+02 -0.108741D+02  0.193961D+01  0.523161D+01  0.112903D+03
               331           332           333           334           335 
      1   0.226974D+01 -0.452028D+02  0.309916D+02  0.723740D+02 -0.187824D+03
      2  -0.420132D+01 -0.156637D+02  0.340125D+01  0.176433D+02 -0.234298D+03
      3  -0.154309D+02  0.130688D+02 -0.251907D+02 -0.822538D+01  0.100487D+02
               336           337           338           339           340 
      1  -0.689962D+02  0.350481D+02  0.958787D+03  0.269159D+03  0.547762D+01
      2   0.129620D+02 -0.129682D+02  0.608935D+03 -0.962807D+02  0.729943D+01
      3   0.201467D+03  0.365086D+02 -0.699277D+03  0.424418D+03 -0.153917D+02
               341           342           343           344           345 
      1   0.195516D+03 -0.124141D+02 -0.211494D+02  0.557211D+02  0.112924D+02
      2  -0.754115D+02  0.179296D+03 -0.674966D+01  0.562687D+02  0.407858D+00
      3   0.978492D+03  0.578277D+03 -0.588802D+01  0.229300D+01 -0.124336D+03
               346           347           348           349           350 
      1  -0.390762D+00 -0.165504D+02  0.223353D+02  0.284732D+01 -0.485527D+02
      2  -0.276287D+01 -0.110421D+02 -0.184758D+01 -0.396510D+01 -0.285394D+02
      3  -0.249188D+01 -0.199889D+02 -0.365179D+02 -0.673540D+01 -0.889104D-01
               351 
      1   0.348260D+02
      2   0.127263D+01
      3  -0.215702D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.566606D+02 -0.900979D+01  0.000000D+00  0.445680D+00 -0.399536D+02
      2  -0.394077D+02  0.436934D+01  0.000000D+00 -0.193121D+01  0.181407D+02
      3  -0.172529D+02  0.464045D+01  0.000000D+00  0.148553D+01  0.218129D+02
      4   0.268722D+01  0.264442D+02  0.000000D+00 -0.165932D+01  0.330075D+01
      5   0.000000D+00  0.000000D+00 -0.777384D+01  0.000000D+00  0.000000D+00
      6   0.000000D+00  0.000000D+00  0.419710D+01  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00 -0.275853D+02  0.184151D+00
      2   0.000000D+00  0.000000D+00  0.000000D+00  0.108953D+02 -0.316808D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00  0.166900D+02  0.298393D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.674526D+02  0.154962D+00
      5   0.107235D+01  0.394454D+01 -0.618180D+02  0.000000D+00  0.307851D+01
      6  -0.380976D+02  0.224614D+02  0.324256D+03  0.000000D+00 -0.176656D+02
                11            12            13            14            15 
      1  -0.266047D+01  0.308814D+02 -0.325341D+01  0.442285D+02 -0.268615D+02
      2   0.160313D+02  0.307333D+01  0.150694D+01 -0.126928D+02  0.136145D+02
      3  -0.133709D+02 -0.339548D+02  0.174647D+01 -0.315356D+02  0.132469D+02
      4  -0.159158D+02 -0.227040D+02  0.798577D+01 -0.629898D+01  0.459977D+02
      5  -0.216027D+02 -0.777253D+00  0.288468D+01 -0.659530D+02  0.213808D+01
      6   0.418373D+02 -0.787175D+01  0.154309D+02  0.459631D+03 -0.438656D+02
                16            17            18            19            20 
      1   0.949017D+00  0.972104D+02 -0.651623D+02  0.325789D+01 -0.580190D+01
      2   0.560118D+01 -0.119714D+03 -0.316016D+02 -0.497026D+01 -0.231900D+01
      3  -0.655019D+01  0.225036D+02  0.967639D+02  0.171237D+01  0.812090D+01
      4   0.193796D+01 -0.110754D+01  0.519048D+02  0.178869D+01  0.379449D+01
      5  -0.775407D+01 -0.238917D+02 -0.862521D+00 -0.184409D+01  0.263886D+02
      6   0.156549D+02  0.946516D+02  0.459533D+02  0.318049D+01 -0.454170D+02
                21            22            23            24            25 
      1  -0.500741D+02 -0.908008D+01  0.617998D+02  0.456819D+02 -0.599375D+01
      2   0.944821D+01  0.124200D+02 -0.814402D+02 -0.793818D+02  0.108322D+02
      3   0.406259D+02 -0.333992D+01  0.196404D+02  0.336999D+02 -0.483844D+01
      4   0.295476D+02  0.428574D+01  0.432014D+02  0.698745D+02  0.160600D+01
      5   0.115251D+02  0.137528D+02 -0.421800D+02  0.107820D+02  0.155818D+02
      6   0.593930D+01  0.537152D+02 -0.352823D+02 -0.348725D+03 -0.208003D+01
                26            27            28            29            30 
      1   0.176721D+02  0.893009D+02  0.325789D+01 -0.580190D+01  0.500741D+02
      2  -0.374487D+02 -0.838695D+02 -0.497026D+01 -0.231900D+01 -0.944821D+01
      3   0.197766D+02 -0.543141D+01  0.171237D+01  0.812090D+01 -0.406259D+02
      4   0.495941D+01 -0.661144D+02  0.178869D+01  0.379449D+01 -0.295476D+02
      5   0.758137D+02 -0.121115D+02  0.184409D+01 -0.263886D+02  0.115251D+02
      6  -0.602215D+03 -0.734539D+02 -0.318049D+01  0.454170D+02  0.593930D+01
                31            32            33            34            35 
      1  -0.908008D+01  0.617998D+02 -0.456819D+02  0.599375D+01 -0.176721D+02
      2   0.124200D+02 -0.814402D+02  0.793818D+02 -0.108322D+02  0.374487D+02
      3  -0.333992D+01  0.196404D+02 -0.336999D+02  0.483844D+01 -0.197766D+02
      4   0.428574D+01  0.432014D+02 -0.698745D+02 -0.160600D+01 -0.495941D+01
      5  -0.137528D+02  0.421800D+02  0.107820D+02  0.155818D+02  0.758137D+02
      6  -0.537152D+02  0.352823D+02 -0.348725D+03 -0.208003D+01 -0.602215D+03
                36            37            38            39            40 
      1   0.893009D+02  0.184151D+00 -0.266047D+01 -0.308814D+02 -0.325341D+01
      2  -0.838695D+02 -0.316808D+01  0.160313D+02 -0.307333D+01  0.150694D+01
      3  -0.543140D+01  0.298393D+01 -0.133709D+02  0.339548D+02  0.174647D+01
      4  -0.661144D+02  0.154962D+00 -0.159158D+02  0.227040D+02  0.798577D+01
      5   0.121115D+02 -0.307851D+01  0.216027D+02 -0.777253D+00 -0.288468D+01
      6   0.734539D+02  0.176656D+02 -0.418373D+02 -0.787175D+01 -0.154309D+02
                41            42            43            44            45 
      1   0.442285D+02  0.268615D+02 -0.949017D+00 -0.972104D+02 -0.651623D+02
      2  -0.126928D+02 -0.136145D+02 -0.560118D+01  0.119714D+03 -0.316016D+02
      3  -0.315356D+02 -0.132469D+02  0.655019D+01 -0.225036D+02  0.967639D+02
      4  -0.629898D+01 -0.459977D+02 -0.193796D+01  0.110754D+01  0.519048D+02
      5   0.659530D+02  0.213808D+01 -0.775407D+01 -0.238917D+02  0.862521D+00
      6  -0.459631D+03 -0.438656D+02  0.156549D+02  0.946516D+02 -0.459533D+02
                46            47            48            49            50 
      1   0.562043D+01  0.569216D+01 -0.119789D+02  0.329086D+01 -0.442393D+02
      2  -0.266858D+02 -0.183044D+02 -0.897802D+01 -0.127816D+02  0.150126D+03
      3   0.210653D+02  0.126123D+02  0.209569D+02  0.949072D+01 -0.105887D+03
      4  -0.110009D+01  0.138008D+02  0.317086D+02 -0.996359D+01  0.388254D+01
      5  -0.679663D+01  0.331596D+02  0.611554D+02 -0.151075D+02 -0.231120D+02
      6   0.326298D+02 -0.546825D+02  0.863358D+01  0.454224D+01  0.215460D+03
                51            52            53            54            55 
      1   0.819564D+01  0.854459D+00 -0.748597D+02  0.677102D+01  0.959320D+00
      2   0.102540D+03 -0.524847D+01  0.814485D+02  0.184610D+01 -0.149989D+01
      3  -0.110736D+03  0.439401D+01 -0.658876D+01 -0.861712D+01  0.540574D+00
      4   0.100096D+02  0.105352D+01  0.977187D+01 -0.714479D+01  0.522443D+00
      5   0.620976D+01  0.127393D+02 -0.167113D+02  0.485553D+00  0.563176D+00
      6  -0.141413D+03 -0.762699D+01  0.181541D+03 -0.886104D+01 -0.701786D+01
                56            57            58            59            60 
      1   0.681036D-01  0.414753D+01 -0.126493D+00 -0.295526D+01  0.517954D+01
      2   0.404473D+00  0.361515D+01 -0.159482D+01 -0.793353D+01  0.200413D+02
      3  -0.472577D+00 -0.776267D+01  0.172132D+01  0.108888D+02 -0.252208D+02
      4  -0.186613D+01 -0.491249D+01  0.800945D+00  0.713304D+00 -0.156029D+01
      5  -0.854144D+01 -0.436148D+01 -0.305438D+01 -0.751941D+00  0.199453D+01
      6   0.939836D+01 -0.708799D+00 -0.991412D+00 -0.144475D+01  0.345782D+01
                61            62            63            64            65 
      1   0.685153D+00  0.497261D+00 -0.189383D+02 -0.526833D+01 -0.502396D+01
      2   0.291912D+01  0.664909D+01 -0.433937D+02 -0.656120D+01 -0.309454D+01
      3  -0.360427D+01 -0.714636D+01  0.623320D+02  0.118295D+02  0.811850D+01
      4   0.501416D+00 -0.277633D+00  0.557603D+00 -0.858755D+01  0.345834D+02
      5   0.649413D+01 -0.877539D+00 -0.549022D+01 -0.931748D+01  0.362870D+02
      6  -0.105427D+01  0.135870D+02  0.885767D+01  0.533485D+02 -0.985662D+01
                66            67            68            69            70 
      1  -0.102045D+02 -0.122963D+01  0.381734D+02 -0.293234D+02 -0.408834D+01
      2   0.432416D+01  0.799955D+01 -0.129289D+03 -0.509670D+02 -0.484166D+01
      3   0.588035D+01 -0.676992D+01  0.911152D+02  0.802905D+02  0.892999D+01
      4   0.429595D+02  0.701168D+01 -0.123090D+02  0.160194D+01  0.248807D+02
      5   0.500517D+02  0.621327D+01  0.810515D+01 -0.200960D+01  0.229541D+02
      6   0.142188D+01 -0.371339D+01 -0.385645D+02  0.166639D+03  0.530592D+01
                71            72            73            74            75 
      1  -0.403794D+02  0.347351D+01 -0.511276D+00  0.346716D+01  0.555086D+01
      2   0.140193D+03  0.228535D+02  0.566048D+00  0.158184D+01 -0.322372D+00
      3  -0.998132D+02 -0.263270D+02 -0.547724D-01 -0.504901D+01 -0.522849D+01
      4   0.480344D+01  0.707311D+01 -0.390918D+00  0.846423D+00 -0.152120D+01
      5  -0.815169D+01  0.573174D+01 -0.583138D+00 -0.280362D+00 -0.831752D+00
      6   0.126539D+03 -0.452483D+02 -0.901960D+00 -0.456078D+01 -0.891404D+01
                76            77            78            79            80 
      1   0.261939D+01 -0.325949D+02 -0.341801D+02  0.426418D+01 -0.422376D+02
      2  -0.160071D+01  0.210185D+02  0.179277D+02  0.100521D+01  0.315676D+01
      3  -0.101869D+01  0.115764D+02  0.162524D+02 -0.526939D+01  0.390808D+02
      4   0.542446D+01 -0.522292D+01 -0.295210D+01  0.612445D+01 -0.546261D+01
      5   0.406097D+01 -0.633886D+01 -0.483176D+01  0.890337D+01 -0.805340D+01
      6  -0.580257D+01  0.736722D+02  0.618196D+02 -0.970772D+01  0.860046D+02
                81            82            83            84            85 
      1  -0.603983D+02 -0.390263D+01 -0.726761D+01  0.431028D+01  0.152870D+01
      2  -0.116093D+02  0.401445D+02  0.918929D+01  0.125225D+00 -0.121196D+01
      3   0.720077D+02 -0.362419D+02 -0.192168D+01 -0.443550D+01 -0.316736D+00
      4  -0.753135D+01 -0.677552D+01  0.852427D+02  0.197537D+02  0.246050D+02
      5  -0.122398D+02 -0.106749D+01  0.297755D+02  0.545065D+01  0.833380D+01
      6   0.114993D+03  0.320639D+02  0.384783D+01 -0.131693D+02 -0.104299D+02
                86            87            88            89            90 
      1  -0.306750D+02 -0.461968D+02  0.458220D+01  0.769117D+01 -0.238635D+02
      2   0.496660D+02  0.423773D+02  0.162478D+01 -0.647339D+02  0.313628D+02
      3  -0.189910D+02  0.381946D+01 -0.620698D+01  0.570427D+02 -0.749933D+01
      4  -0.105276D+02 -0.314024D+01 -0.149087D+02 -0.163104D+02 -0.715896D+01
      5  -0.554839D+01 -0.527916D+01 -0.179773D+02  0.169242D+01 -0.351635D+01
      6   0.159916D+03  0.133617D+03 -0.101908D+02  0.620206D+02  0.131153D+03
                91            92            93            94            95 
      1   0.399708D+00  0.211744D+01 -0.166737D+01  0.186554D+01 -0.598856D+02
      2  -0.228021D+00 -0.511536D+01 -0.776193D+00 -0.657317D+01  0.157347D+03
      3  -0.171687D+00  0.299792D+01  0.244356D+01  0.470763D+01 -0.974614D+02
      4   0.257379D-01 -0.381523D+01 -0.241672D+01  0.103778D+02 -0.942999D+01
      5   0.182974D+00 -0.108531D+01 -0.397536D+00  0.209010D+01 -0.145805D+01
      6  -0.310403D+01 -0.948030D+01  0.755739D+00 -0.121043D+01  0.423495D+02
                96            97            98            99           100 
      1  -0.332398D+01 -0.932791D-02  0.900863D+01 -0.519521D+01  0.134056D+02
      2   0.744615D+01  0.809664D+00 -0.363761D+02  0.840084D+01  0.106925D+01
      3  -0.412217D+01 -0.800336D+00  0.273675D+02 -0.320562D+01 -0.144749D+02
      4   0.575658D+00 -0.218719D+01  0.286459D+00 -0.906227D+00  0.992566D+00
      5  -0.152600D+00  0.948966D+00 -0.136663D+01 -0.364949D+00 -0.228013D+00
      6   0.302109D+01 -0.109939D+01  0.129026D+02  0.600139D+01 -0.779941D+01
               101           102           103           104           105 
      1   0.261820D+00 -0.156647D+02 -0.671114D+00  0.337870D+02  0.170426D+02
      2   0.254393D+01  0.797238D+01  0.599171D+01 -0.704985D+02 -0.776734D+02
      3  -0.280575D+01  0.769234D+01 -0.532059D+01  0.367115D+02  0.606309D+02
      4   0.545100D+00 -0.308215D+01 -0.951769D+01  0.238334D+02  0.750901D+01
      5   0.622280D+01  0.367250D+01 -0.745067D+00  0.100988D+02  0.102168D+01
      6  -0.651616D+01  0.203250D+02  0.999739D+01 -0.195627D+03 -0.740016D+02
               106           107           108           109           110 
      1  -0.283187D+01  0.244924D+02  0.562217D+01  0.136416D+02 -0.222366D+01
      2   0.647368D+01 -0.555138D+02 -0.443720D+02  0.604382D+01  0.231779D+01
      3  -0.364181D+01  0.310215D+02  0.387498D+02 -0.196854D+02 -0.941303D-01
      4   0.699909D+01  0.158733D+02  0.517302D+01  0.403774D+01  0.190755D+02
      5   0.149913D+02 -0.685280D+01  0.149335D+01  0.184080D+01 -0.148864D+02
      6   0.925745D+01 -0.500193D+02 -0.749428D+02 -0.190712D+02  0.321559D+02
               111           112           113           114           115 
      1  -0.796289D+00  0.628608D+01 -0.685133D+02 -0.861569D+02 -0.820277D+00
      2   0.393115D+01 -0.840212D+01  0.785350D+02  0.933661D+02 -0.126834D+01
      3  -0.313486D+01  0.211604D+01 -0.100217D+02 -0.720928D+01  0.208862D+01
      4  -0.274821D+02 -0.324509D+01 -0.351691D+02 -0.169100D+02 -0.182389D+02
      5  -0.676192D+00 -0.104504D+02 -0.183083D+02 -0.157291D+02 -0.134984D+02
      6   0.122586D+02 -0.341085D+02  0.431738D+03  0.323492D+03  0.832762D+00
               116           117           118           119           120 
      1   0.113870D+02  0.254759D+02 -0.124936D+01  0.166747D+01  0.143801D+02
      2   0.167767D+02  0.222039D+02  0.272616D+01  0.536922D+01 -0.340710D+01
      3  -0.281637D+02 -0.476798D+02 -0.147681D+01 -0.703669D+01 -0.109730D+02
      4  -0.108710D+02 -0.225292D+01  0.126014D+01  0.614094D+01 -0.804481D+01
      5   0.979640D+01  0.406033D+01 -0.347198D-01 -0.807777D+01  0.212913D+01
      6  -0.478008D+02 -0.149785D+02 -0.432405D+01  0.234451D+02 -0.112655D+02
               121           122           123           124           125 
      1  -0.530687D+00 -0.187723D+02  0.564397D+01  0.332406D+00  0.513107D+01
      2   0.182955D+01  0.531959D+02 -0.286740D+02 -0.939293D+00 -0.188838D+02
      3  -0.129886D+01 -0.344236D+02  0.230301D+02  0.606887D+00  0.137527D+02
      4   0.719974D+01  0.396359D+01  0.574251D+01 -0.312729D+01 -0.378326D+01
      5  -0.284720D+01 -0.472808D+01  0.160778D+00  0.205554D+01 -0.134970D+01
      6   0.887602D+00 -0.148758D+02  0.259810D+02 -0.844834D+00  0.513880D+02
               126           127           128           129           130 
      1  -0.136446D+02 -0.209997D+02  0.250078D+02  0.582365D+02  0.669522D+01
      2   0.152764D+02  0.197260D+02 -0.342072D+02 -0.528963D+02 -0.573621D+01
      3  -0.163183D+01  0.127367D+01  0.919949D+01 -0.534025D+01 -0.959011D+00
      4   0.152970D+01 -0.107000D+02  0.341356D+01  0.391184D+00  0.256371D+01
      5  -0.129332D+01  0.360560D+02 -0.195691D+02 -0.173976D+02 -0.128426D+02
      6  -0.114531D+02  0.144699D+02 -0.337882D+02 -0.601644D+02 -0.949180D+01
               131           132           133           134           135 
      1  -0.392739D+01 -0.379508D+02  0.101547D+02 -0.214942D+02 -0.191040D+02
      2   0.145077D+02  0.187662D+02 -0.108618D+02  0.211270D+02  0.621929D+02
      3  -0.105803D+02  0.191845D+02  0.707119D+00  0.367215D+00 -0.430889D+02
      4  -0.141376D+01  0.711564D+01 -0.237699D+00 -0.100149D+02 -0.550254D+01
      5  -0.140204D+02  0.753530D+01 -0.122779D+02  0.425521D+01  0.675327D+01
      6   0.130982D+03  0.266308D+02 -0.200792D+02  0.887321D+02  0.106558D+03
               136           137           138           139           140 
      1   0.413261D+02 -0.151925D+02 -0.285077D+02 -0.351059D+01  0.382480D+01
      2  -0.288224D+02  0.216027D+02  0.428582D+02  0.319831D+01 -0.440476D+01
      3  -0.125037D+02 -0.641020D+01 -0.143505D+02  0.312275D+00  0.579961D+00
      4   0.103900D+02 -0.235723D+01 -0.839849D+01  0.556017D+01 -0.540700D+00
      5  -0.332943D+02  0.111182D+02  0.273205D+02  0.361881D+01 -0.315427D+01
      6  -0.168391D+02  0.604738D+01  0.482823D+02 -0.262776D+01 -0.403550D+01
               141           142           143           144           145 
      1   0.120270D+01  0.128176D+01  0.899757D+00  0.283997D+01 -0.776164D+01
      2  -0.117678D+01  0.512486D+01 -0.254288D+01 -0.135118D+02 -0.611788D+01
      3  -0.259174D-01 -0.640662D+01  0.164313D+01  0.106718D+02  0.138795D+02
      4  -0.125356D+01 -0.221278D+00 -0.367266D+00  0.333457D+01  0.190255D+02
      5  -0.275017D+01  0.822647D+01  0.210285D+00 -0.758900D+01 -0.425498D+02
      6   0.132367D+02  0.466016D+01 -0.267402D+02 -0.208663D+02  0.155494D+02
               146           147           148           149           150 
      1   0.207082D+01 -0.141110D+02  0.466135D+01  0.602762D+01  0.140676D+02
      2  -0.304157D+01 -0.274270D+01 -0.100163D+02 -0.237434D+02  0.345453D+02
      3   0.970751D+00  0.168537D+02  0.535490D+01  0.177158D+02 -0.486129D+02
      4  -0.877113D+01  0.375701D+01 -0.589128D+01 -0.136085D+02 -0.309703D+01
      5   0.112783D+02 -0.113535D+01  0.110235D+02  0.152174D+02 -0.143681D+01
      6   0.204296D+02  0.417182D+01  0.847120D+01  0.303943D+02  0.455601D+01
               151           152           153           154           155 
      1  -0.217765D+01  0.132844D+02  0.179876D+01  0.111441D+01 -0.251217D+01
      2  -0.378018D+01  0.145363D+02 -0.936687D+01  0.533521D+01  0.922761D+01
      3   0.595784D+01 -0.278207D+02  0.756811D+01 -0.644961D+01 -0.671544D+01
      4  -0.524992D+00  0.705281D+00 -0.877227D+01  0.565016D+01  0.115702D+02
      5   0.290597D+01 -0.208681D+01  0.119385D+02 -0.397815D+01 -0.116689D+02
      6  -0.262871D+01 -0.735918D+01 -0.459269D+02 -0.125314D+02 -0.185594D+02
               156           157           158           159           160 
      1   0.548542D+01 -0.315918D+01 -0.154933D+02  0.948844D+01  0.226341D+01
      2   0.406148D+01  0.828302D+01  0.361741D+02 -0.460636D+01  0.221802D+01
      3  -0.954690D+01 -0.512384D+01 -0.206808D+02 -0.488209D+01 -0.448143D+01
      4  -0.410424D+01  0.897737D+01  0.120286D+02 -0.313006D+01 -0.680099D+00
      5   0.552696D+01 -0.876348D+01 -0.117558D+02  0.390224D+01  0.199385D+01
      6   0.794344D+01 -0.113465D+02 -0.543056D+02  0.207294D+02  0.316471D+01
               161           162           163           164           165 
      1   0.391774D+01 -0.568207D+01  0.210070D+02 -0.350395D+01 -0.331344D+01
      2   0.700016D+00  0.351067D+01 -0.523477D+01 -0.202507D+01 -0.111350D+02
      3  -0.461776D+01  0.217140D+01 -0.157722D+02  0.552902D+01  0.144484D+02
      4  -0.108249D+01  0.421584D+01 -0.249641D+02  0.108094D+02 -0.640754D+01
      5   0.190995D+01 -0.608472D+01  0.445248D+02 -0.128774D+02  0.140195D+02
      6   0.152198D+02 -0.649587D+01 -0.174648D+02  0.114965D+02 -0.130849D+02
               166           167           168           169           170 
      1  -0.119919D+01  0.158096D+01 -0.403090D+00 -0.362957D+01 -0.172523D+01
      2  -0.200777D+01  0.437034D+01 -0.585238D+01 -0.350601D+01  0.987004D+00
      3   0.320696D+01 -0.595129D+01  0.625547D+01  0.713558D+01  0.738224D+00
      4   0.736384D+01 -0.428567D+01  0.259674D+01  0.335420D+00  0.266523D+00
      5  -0.574164D+01  0.647413D+01 -0.319593D+01  0.515491D+01 -0.132465D+01
      6   0.712305D+01 -0.777301D+01  0.223839D+01 -0.311361D+01  0.563716D+00
               171           172           173           174           175 
      1   0.170663D+01 -0.777585D+01 -0.711734D+01  0.254068D+02 -0.315078D+01
      2  -0.115433D+01  0.168989D+02 -0.236430D+01  0.182601D+02 -0.509559D+00
      3  -0.552307D+00 -0.912301D+01  0.948164D+01 -0.436669D+02  0.366034D+01
      4  -0.372121D+01 -0.904972D+01  0.578981D+00  0.296463D+01  0.163019D-01
      5   0.715547D+01  0.661502D+02  0.679074D+01 -0.184425D+02 -0.247256D+01
      6   0.484539D+01  0.576323D+01 -0.250410D+02  0.161720D+02 -0.152077D+02
               176           177           178           179           180 
      1   0.567558D+01 -0.351533D+02  0.103767D+02 -0.247767D+02  0.269364D+02
      2   0.767195D+01 -0.401211D+02  0.104645D+02 -0.296582D+02  0.121008D+02
      3  -0.133475D+02  0.752744D+02 -0.208412D+02  0.544349D+02 -0.390372D+02
      4   0.393228D+01 -0.187946D+01  0.898389D+00 -0.149408D+01  0.406351D+01
      5  -0.158834D+02  0.598688D+01 -0.693325D+01  0.472346D+01 -0.253303D+02
      6  -0.644958D+01 -0.222606D+02  0.728784D+01 -0.185539D+02  0.618869D+02
               181           182           183           184           185 
      1   0.192620D+02  0.206701D+01  0.157777D+01 -0.252520D+00  0.848473D+00
      2  -0.269829D+02  0.406772D-02  0.211952D+02  0.154904D+01 -0.267399D+01
      3   0.772085D+01 -0.207108D+01 -0.227729D+02 -0.129652D+01  0.182551D+01
      4   0.123683D+02  0.522446D+01 -0.554433D+01  0.605016D+01  0.165096D+01
      5  -0.758169D+02 -0.952928D+01  0.356461D+02  0.176002D+01 -0.721074D+01
      6  -0.957350D+01 -0.108861D+02  0.503413D+01 -0.772783D+01  0.655590D+00
               186           187           188           189           190 
      1   0.394743D+01  0.357041D+01  0.396946D+01 -0.318158D+01 -0.528291D+01
      2   0.241182D+01  0.785961D+01  0.405889D+01 -0.887912D+01 -0.104132D+02
      3  -0.635924D+01 -0.114300D+02 -0.802835D+01  0.120607D+02  0.156961D+02
      4  -0.184123D+01 -0.340977D+00 -0.553306D+00  0.132286D+01 -0.183866D+01
      5   0.428733D-01  0.115724D+02  0.661874D+00 -0.144428D+02  0.426773D+01
      6   0.846266D+01  0.167491D+01  0.582484D+01 -0.828027D+01 -0.103749D+02
               191           192           193           194           195 
      1   0.559304D+01 -0.171717D+02  0.289153D+01 -0.186449D+02  0.302765D+02
      2   0.391240D+01 -0.201477D+02  0.825968D+00 -0.954328D+01  0.234080D+02
      3  -0.950544D+01  0.373194D+02 -0.371750D+01  0.281881D+02 -0.536844D+02
      4   0.347512D+01 -0.545138D+01  0.304229D+01 -0.189701D+01  0.139429D+01
      5  -0.940460D+01  0.242564D+02 -0.644628D+01  0.719455D+01 -0.492519D+01
      6   0.136741D+02 -0.178576D+02  0.775838D+01 -0.321490D+02  0.482811D+02
               196           197           198           199           200 
      1  -0.704719D+01  0.226942D+02 -0.635278D+02 -0.777585D+01 -0.711734D+01
      2  -0.685518D+01  0.193295D+02 -0.660023D+02  0.168989D+02 -0.236430D+01
      3   0.139024D+02 -0.420236D+02  0.129530D+03 -0.912301D+01  0.948164D+01
      4  -0.279936D+01  0.997085D+00 -0.379662D+01 -0.904972D+01  0.578981D+00
      5   0.137643D+02 -0.333483D+01  0.161266D+02 -0.661502D+02 -0.679074D+01
      6  -0.649045D+01  0.311832D+02 -0.663373D+02 -0.576323D+01  0.250410D+02
               201           202           203           204           205 
      1  -0.254068D+02 -0.315078D+01  0.567558D+01  0.351533D+02 -0.103767D+02
      2  -0.182601D+02 -0.509559D+00  0.767195D+01  0.401211D+02 -0.104645D+02
      3   0.436669D+02  0.366034D+01 -0.133475D+02 -0.752744D+02  0.208412D+02
      4  -0.296463D+01  0.163019D-01  0.393228D+01  0.187946D+01 -0.898389D+00
      5  -0.184425D+02  0.247256D+01  0.158834D+02  0.598688D+01 -0.693325D+01
      6   0.161720D+02  0.152077D+02  0.644958D+01 -0.222606D+02  0.728784D+01
               206           207           208           209           210 
      1   0.247767D+02  0.269364D+02 -0.528291D+01  0.559304D+01  0.171717D+02
      2   0.296582D+02  0.121008D+02 -0.104132D+02  0.391240D+01  0.201477D+02
      3  -0.544349D+02 -0.390372D+02  0.156961D+02 -0.950544D+01 -0.373194D+02
      4   0.149408D+01  0.406351D+01 -0.183866D+01  0.347512D+01  0.545138D+01
      5   0.472346D+01  0.253303D+02 -0.426773D+01  0.940460D+01  0.242564D+02
      6  -0.185539D+02 -0.618869D+02  0.103749D+02 -0.136741D+02 -0.178576D+02
               211           212           213           214           215 
      1   0.289153D+01 -0.186449D+02 -0.302765D+02  0.704719D+01 -0.226942D+02
      2   0.825968D+00 -0.954328D+01 -0.234080D+02  0.685518D+01 -0.193295D+02
      3  -0.371750D+01  0.281881D+02  0.536844D+02 -0.139024D+02  0.420236D+02
      4   0.304229D+01 -0.189701D+01 -0.139429D+01  0.279936D+01 -0.997085D+00
      5   0.644628D+01 -0.719455D+01 -0.492519D+01  0.137643D+02 -0.333483D+01
      6  -0.775838D+01  0.321490D+02  0.482811D+02 -0.649045D+01  0.311832D+02
               216           217           218           219           220 
      1  -0.635278D+02  0.192620D+02  0.206701D+01 -0.157777D+01 -0.252520D+00
      2  -0.660023D+02 -0.269829D+02  0.406772D-02 -0.211952D+02  0.154904D+01
      3   0.129530D+03  0.772085D+01 -0.207108D+01  0.227729D+02 -0.129652D+01
      4  -0.379662D+01  0.123683D+02  0.522446D+01  0.554433D+01  0.605016D+01
      5  -0.161266D+02  0.758169D+02  0.952928D+01  0.356461D+02 -0.176002D+01
      6   0.663373D+02  0.957350D+01  0.108861D+02  0.503413D+01  0.772783D+01
               221           222           223           224           225 
      1   0.848473D+00 -0.394743D+01 -0.357041D+01 -0.396946D+01 -0.318158D+01
      2  -0.267399D+01 -0.241182D+01 -0.785961D+01 -0.405889D+01 -0.887912D+01
      3   0.182551D+01  0.635924D+01  0.114300D+02  0.802835D+01  0.120607D+02
      4   0.165096D+01  0.184123D+01  0.340977D+00  0.553306D+00  0.132286D+01
      5   0.721074D+01  0.428733D-01  0.115724D+02  0.661874D+00  0.144428D+02
      6  -0.655590D+00  0.846266D+01  0.167491D+01  0.582484D+01  0.828027D+01
               226           227           228           229           230 
      1  -0.776164D+01  0.207082D+01  0.141110D+02  0.466135D+01  0.602762D+01
      2  -0.611788D+01 -0.304157D+01  0.274270D+01 -0.100163D+02 -0.237434D+02
      3   0.138795D+02  0.970751D+00 -0.168537D+02  0.535490D+01  0.177158D+02
      4   0.190255D+02 -0.877113D+01 -0.375701D+01 -0.589128D+01 -0.136085D+02
      5   0.425498D+02 -0.112783D+02 -0.113535D+01 -0.110235D+02 -0.152174D+02
      6  -0.155494D+02 -0.204296D+02  0.417182D+01 -0.847120D+01 -0.303943D+02
               231           232           233           234           235 
      1  -0.140676D+02  0.217765D+01 -0.132844D+02  0.179876D+01  0.210070D+02
      2  -0.345453D+02  0.378018D+01 -0.145363D+02 -0.936687D+01 -0.523477D+01
      3   0.486129D+02 -0.595784D+01  0.278207D+02  0.756811D+01 -0.157722D+02
      4   0.309703D+01  0.524992D+00 -0.705281D+00 -0.877227D+01 -0.249641D+02
      5  -0.143681D+01  0.290597D+01 -0.208681D+01 -0.119385D+02 -0.445248D+02
      6   0.455601D+01 -0.262871D+01 -0.735918D+01  0.459269D+02  0.174648D+02
               236           237           238           239           240 
      1  -0.350395D+01  0.331344D+01 -0.119919D+01  0.158096D+01  0.403090D+00
      2  -0.202507D+01  0.111350D+02 -0.200777D+01  0.437034D+01  0.585238D+01
      3   0.552902D+01 -0.144484D+02  0.320696D+01 -0.595129D+01 -0.625547D+01
      4   0.108094D+02  0.640754D+01  0.736384D+01 -0.428567D+01 -0.259674D+01
      5   0.128774D+02  0.140195D+02  0.574164D+01 -0.647413D+01 -0.319593D+01
      6  -0.114965D+02 -0.130849D+02 -0.712305D+01  0.777301D+01  0.223839D+01
               241           242           243           244           245 
      1   0.362957D+01  0.172523D+01  0.170663D+01  0.111441D+01 -0.251217D+01
      2   0.350601D+01 -0.987004D+00 -0.115433D+01  0.533521D+01  0.922761D+01
      3  -0.713558D+01 -0.738224D+00 -0.552307D+00 -0.644961D+01 -0.671544D+01
      4  -0.335420D+00 -0.266523D+00 -0.372121D+01  0.565016D+01  0.115702D+02
      5   0.515491D+01 -0.132465D+01 -0.715547D+01  0.397815D+01  0.116689D+02
      6  -0.311361D+01  0.563716D+00 -0.484539D+01  0.125314D+02  0.185594D+02
               246           247           248           249           250 
      1  -0.548542D+01 -0.315918D+01 -0.154933D+02 -0.948844D+01 -0.226341D+01
      2  -0.406148D+01  0.828302D+01  0.361741D+02  0.460636D+01 -0.221802D+01
      3   0.954690D+01 -0.512384D+01 -0.206808D+02  0.488209D+01  0.448143D+01
      4   0.410424D+01  0.897737D+01  0.120286D+02  0.313006D+01  0.680099D+00
      5   0.552696D+01  0.876348D+01  0.117558D+02  0.390224D+01  0.199385D+01
      6   0.794344D+01  0.113465D+02  0.543056D+02  0.207294D+02  0.316471D+01
               251           252           253           254           255 
      1  -0.391774D+01 -0.568207D+01 -0.209997D+02  0.250078D+02 -0.582365D+02
      2  -0.700016D+00  0.351067D+01  0.197260D+02 -0.342072D+02  0.528963D+02
      3   0.461776D+01  0.217140D+01  0.127367D+01  0.919949D+01  0.534025D+01
      4   0.108249D+01  0.421584D+01 -0.107000D+02  0.341356D+01 -0.391184D+00
      5   0.190995D+01  0.608472D+01 -0.360560D+02  0.195691D+02 -0.173976D+02
      6   0.152198D+02  0.649587D+01 -0.144699D+02  0.337882D+02 -0.601644D+02
               256           257           258           259           260 
      1   0.669522D+01 -0.392739D+01  0.379508D+02 -0.101547D+02  0.214942D+02
      2  -0.573621D+01  0.145077D+02 -0.187662D+02  0.108618D+02 -0.211270D+02
      3  -0.959011D+00 -0.105803D+02 -0.191845D+02 -0.707119D+00 -0.367215D+00
      4   0.256371D+01 -0.141376D+01 -0.711564D+01  0.237699D+00  0.100149D+02
      5   0.128426D+02  0.140204D+02  0.753530D+01 -0.122779D+02  0.425521D+01
      6   0.949180D+01 -0.130982D+03  0.266308D+02 -0.200792D+02  0.887321D+02
               261           262           263           264           265 
      1  -0.191040D+02  0.413261D+02 -0.151925D+02  0.285077D+02 -0.351059D+01
      2   0.621929D+02 -0.288224D+02  0.216027D+02 -0.428582D+02  0.319831D+01
      3  -0.430889D+02 -0.125037D+02 -0.641020D+01  0.143505D+02  0.312275D+00
      4  -0.550254D+01  0.103900D+02 -0.235723D+01  0.839849D+01  0.556017D+01
      5  -0.675327D+01  0.332943D+02 -0.111182D+02  0.273205D+02 -0.361881D+01
      6  -0.106558D+03  0.168391D+02 -0.604738D+01  0.482823D+02  0.262776D+01
               266           267           268           269           270 
      1   0.382480D+01 -0.120270D+01 -0.128176D+01 -0.899757D+00  0.283997D+01
      2  -0.440476D+01  0.117678D+01 -0.512486D+01  0.254288D+01 -0.135118D+02
      3   0.579961D+00  0.259174D-01  0.640662D+01 -0.164313D+01  0.106718D+02
      4  -0.540700D+00  0.125356D+01  0.221278D+00  0.367266D+00  0.333457D+01
      5   0.315427D+01 -0.275017D+01  0.822647D+01  0.210285D+00  0.758900D+01
      6   0.403550D+01  0.132367D+02  0.466016D+01 -0.267402D+02  0.208663D+02
               271           272           273           274           275 
      1   0.136416D+02 -0.222366D+01  0.796289D+00  0.628608D+01 -0.685133D+02
      2   0.604382D+01  0.231779D+01 -0.393115D+01 -0.840212D+01  0.785350D+02
      3  -0.196854D+02 -0.941302D-01  0.313486D+01  0.211604D+01 -0.100217D+02
      4   0.403774D+01  0.190755D+02  0.274821D+02 -0.324509D+01 -0.351691D+02
      5  -0.184080D+01  0.148864D+02 -0.676192D+00  0.104504D+02  0.183083D+02
      6   0.190712D+02 -0.321559D+02  0.122586D+02  0.341085D+02 -0.431738D+03
               276           277           278           279           280 
      1   0.861569D+02  0.820277D+00 -0.113870D+02  0.254759D+02 -0.124936D+01
      2  -0.933661D+02  0.126834D+01 -0.167767D+02  0.222039D+02  0.272616D+01
      3   0.720928D+01 -0.208862D+01  0.281637D+02 -0.476798D+02 -0.147681D+01
      4   0.169100D+02  0.182389D+02  0.108710D+02 -0.225292D+01  0.126014D+01
      5  -0.157291D+02 -0.134984D+02  0.979640D+01 -0.406033D+01  0.347198D-01
      6   0.323492D+03  0.832762D+00 -0.478008D+02  0.149785D+02  0.432405D+01
               281           282           283           284           285 
      1   0.166747D+01 -0.143801D+02 -0.530687D+00 -0.187723D+02 -0.564397D+01
      2   0.536922D+01  0.340710D+01  0.182955D+01  0.531959D+02  0.286740D+02
      3  -0.703669D+01  0.109730D+02 -0.129886D+01 -0.344236D+02 -0.230301D+02
      4   0.614094D+01  0.804481D+01  0.719974D+01  0.396359D+01 -0.574251D+01
      5   0.807777D+01  0.212913D+01  0.284720D+01  0.472808D+01  0.160778D+00
      6  -0.234451D+02 -0.112655D+02 -0.887602D+00  0.148758D+02  0.259810D+02
               286           287           288           289           290 
      1  -0.332406D+00 -0.513107D+01 -0.136446D+02  0.134056D+02  0.261820D+00
      2   0.939293D+00  0.188838D+02  0.152764D+02  0.106925D+01  0.254392D+01
      3  -0.606887D+00 -0.137527D+02 -0.163183D+01 -0.144749D+02 -0.280575D+01
      4   0.312729D+01  0.378326D+01  0.152970D+01  0.992566D+00  0.545100D+00
      5   0.205554D+01 -0.134970D+01  0.129332D+01  0.228013D+00 -0.622280D+01
      6  -0.844834D+00  0.513880D+02  0.114531D+02  0.779941D+01  0.651616D+01
               291           292           293           294           295 
      1   0.156647D+02 -0.671114D+00  0.337870D+02 -0.170426D+02  0.283187D+01
      2  -0.797238D+01  0.599171D+01 -0.704985D+02  0.776734D+02 -0.647368D+01
      3  -0.769234D+01 -0.532059D+01  0.367115D+02 -0.606309D+02  0.364181D+01
      4   0.308215D+01 -0.951769D+01  0.238334D+02 -0.750901D+01 -0.699909D+01
      5   0.367250D+01  0.745067D+00 -0.100988D+02  0.102168D+01  0.149913D+02
      6   0.203250D+02 -0.999739D+01  0.195627D+03 -0.740016D+02  0.925745D+01
               296           297           298           299           300 
      1  -0.244924D+02  0.562217D+01 -0.390263D+01 -0.726761D+01 -0.431028D+01
      2   0.555138D+02 -0.443720D+02  0.401445D+02  0.918929D+01 -0.125225D+00
      3  -0.310215D+02  0.387498D+02 -0.362419D+02 -0.192168D+01  0.443550D+01
      4  -0.158733D+02  0.517302D+01 -0.677552D+01  0.852427D+02 -0.197537D+02
      5  -0.685280D+01 -0.149335D+01  0.106749D+01 -0.297755D+02  0.545065D+01
      6  -0.500193D+02  0.749428D+02 -0.320639D+02 -0.384783D+01 -0.131693D+02
               301           302           303           304           305 
      1   0.152870D+01 -0.306750D+02  0.461968D+02 -0.458220D+01 -0.769117D+01
      2  -0.121196D+01  0.496660D+02 -0.423773D+02 -0.162478D+01  0.647339D+02
      3  -0.316736D+00 -0.189910D+02 -0.381946D+01  0.620698D+01 -0.570427D+02
      4   0.246050D+02 -0.105276D+02  0.314024D+01  0.149087D+02  0.163104D+02
      5  -0.833380D+01  0.554839D+01 -0.527916D+01 -0.179773D+02  0.169242D+01
      6   0.104299D+02 -0.159916D+03  0.133617D+03 -0.101908D+02  0.620206D+02
               306           307           308           309           310 
      1  -0.238635D+02  0.399708D+00  0.211744D+01  0.166737D+01  0.186554D+01
      2   0.313628D+02 -0.228021D+00 -0.511536D+01  0.776193D+00 -0.657317D+01
      3  -0.749933D+01 -0.171687D+00  0.299792D+01 -0.244356D+01  0.470763D+01
      4  -0.715896D+01  0.257379D-01 -0.381523D+01  0.241672D+01  0.103778D+02
      5   0.351635D+01 -0.182974D+00  0.108531D+01 -0.397536D+00 -0.209010D+01
      6  -0.131153D+03  0.310403D+01  0.948030D+01  0.755739D+00  0.121043D+01
               311           312           313           314           315 
      1  -0.598856D+02  0.332398D+01  0.932791D-02 -0.900863D+01 -0.519521D+01
      2   0.157347D+03 -0.744615D+01 -0.809664D+00  0.363761D+02  0.840084D+01
      3  -0.974614D+02  0.412217D+01  0.800336D+00 -0.273675D+02 -0.320562D+01
      4  -0.942999D+01 -0.575658D+00  0.218719D+01 -0.286459D+00 -0.906227D+00
      5   0.145805D+01 -0.152600D+00  0.948966D+00 -0.136663D+01  0.364949D+00
      6  -0.423495D+02  0.302109D+01 -0.109939D+01  0.129026D+02 -0.600139D+01
               316           317           318           319           320 
      1  -0.526833D+01 -0.502396D+01  0.102045D+02 -0.122963D+01  0.381734D+02
      2  -0.656120D+01 -0.309454D+01 -0.432416D+01  0.799955D+01 -0.129289D+03
      3   0.118295D+02  0.811850D+01 -0.588035D+01 -0.676992D+01  0.911152D+02
      4  -0.858755D+01  0.345834D+02 -0.429595D+02  0.701168D+01 -0.123090D+02
      5   0.931748D+01 -0.362870D+02  0.500517D+02 -0.621327D+01 -0.810515D+01
      6  -0.533485D+02  0.985662D+01  0.142188D+01  0.371339D+01  0.385645D+02
               321           322           323           324           325 
      1   0.293234D+02  0.408834D+01  0.403794D+02  0.347351D+01 -0.511276D+00
      2   0.509670D+02  0.484166D+01 -0.140193D+03  0.228535D+02  0.566048D+00
      3  -0.802905D+02 -0.892999D+01  0.998132D+02 -0.263270D+02 -0.547724D-01
      4  -0.160194D+01 -0.248807D+02 -0.480344D+01  0.707311D+01 -0.390918D+00
      5  -0.200960D+01  0.229541D+02 -0.815169D+01 -0.573174D+01  0.583138D+00
      6   0.166639D+03  0.530592D+01  0.126539D+03  0.452483D+02  0.901960D+00
               326           327           328           329           330 
      1   0.346716D+01 -0.555086D+01  0.261939D+01 -0.325949D+02  0.341801D+02
      2   0.158184D+01  0.322372D+00 -0.160071D+01  0.210185D+02 -0.179277D+02
      3  -0.504901D+01  0.522849D+01 -0.101869D+01  0.115764D+02 -0.162524D+02
      4   0.846423D+00  0.152120D+01  0.542446D+01 -0.522292D+01  0.295210D+01
      5   0.280362D+00 -0.831752D+00 -0.406097D+01  0.633886D+01 -0.483176D+01
      6   0.456078D+01 -0.891404D+01  0.580257D+01 -0.736722D+02  0.618196D+02
               331           332           333           334           335 
      1  -0.426418D+01  0.422376D+02 -0.603983D+02  0.562043D+01  0.569216D+01
      2  -0.100521D+01 -0.315676D+01 -0.116093D+02 -0.266858D+02 -0.183044D+02
      3   0.526939D+01 -0.390808D+02  0.720077D+02  0.210653D+02  0.126123D+02
      4  -0.612445D+01  0.546261D+01 -0.753135D+01 -0.110009D+01  0.138008D+02
      5   0.890337D+01 -0.805340D+01  0.122398D+02  0.679663D+01 -0.331596D+02
      6  -0.970772D+01  0.860046D+02 -0.114993D+03 -0.326298D+02  0.546825D+02
               336           337           338           339           340 
      1   0.119789D+02  0.329086D+01 -0.442393D+02 -0.819564D+01 -0.854459D+00
      2   0.897802D+01 -0.127816D+02  0.150126D+03 -0.102540D+03  0.524847D+01
      3  -0.209569D+02  0.949072D+01 -0.105887D+03  0.110736D+03 -0.439401D+01
      4  -0.317086D+02 -0.996359D+01  0.388254D+01 -0.100096D+02 -0.105352D+01
      5   0.611554D+02  0.151075D+02  0.231120D+02  0.620976D+01  0.127393D+02
      6   0.863358D+01 -0.454224D+01 -0.215460D+03 -0.141413D+03 -0.762699D+01
               341           342           343           344           345 
      1   0.748597D+02  0.677102D+01  0.959320D+00  0.681036D-01 -0.414753D+01
      2  -0.814485D+02  0.184610D+01 -0.149989D+01  0.404473D+00 -0.361515D+01
      3   0.658876D+01 -0.861712D+01  0.540574D+00 -0.472577D+00  0.776267D+01
      4  -0.977187D+01 -0.714479D+01  0.522443D+00 -0.186613D+01  0.491249D+01
      5  -0.167113D+02 -0.485553D+00 -0.563176D+00  0.854144D+01 -0.436148D+01
      6   0.181541D+03  0.886104D+01  0.701786D+01 -0.939836D+01 -0.708799D+00
               346           347           348           349           350 
      1  -0.126493D+00 -0.295526D+01 -0.517954D+01 -0.685153D+00 -0.497261D+00
      2  -0.159482D+01 -0.793353D+01 -0.200413D+02 -0.291912D+01 -0.664909D+01
      3   0.172132D+01  0.108888D+02  0.252208D+02  0.360427D+01  0.714636D+01
      4   0.800945D+00  0.713304D+00  0.156029D+01 -0.501416D+00  0.277633D+00
      5   0.305438D+01  0.751941D+00  0.199453D+01  0.649413D+01 -0.877539D+00
      6   0.991412D+00  0.144475D+01  0.345782D+01 -0.105427D+01  0.135870D+02
               351 
      1  -0.189383D+02
      2  -0.433937D+02
      3   0.623320D+02
      4   0.557603D+00
      5   0.549022D+01
      6  -0.885767D+01
 Leave Link  716 at Mon Sep  6 14:32:36 2021, MaxMem=  8589934592 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143635D+03 -0.116935D+02  0.000000D+00
      2  -0.116935D+02  0.359195D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.385695D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.469959D+02 -0.480507D+03  0.000000D+00
      2   0.471950D+02 -0.120281D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.130114D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.234083D+03
      2   0.000000D+00  0.000000D+00  0.267391D+03
      3   0.000000D+00  0.000000D+00 -0.333075D+02
      4   0.000000D+00  0.000000D+00 -0.711897D+02
      5  -0.910142D+02 -0.548898D+02  0.000000D+00
      6  -0.942710D+02  0.688361D+03  0.000000D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.209519D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.000000D+00  0.115908D+02  0.000000D+00  0.000000D+00
      3  -0.209519D+01  0.115908D+02  0.000000D+00  0.617117D+00 -0.560179D+01
                 6             7             8             9            10 
      1   0.617117D+00  0.655192D+00  0.111911D+02  0.000000D+00 -0.128606D+00
      2  -0.560179D+01  0.111911D+02  0.327186D+03  0.000000D+00 -0.901549D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00  0.145733D+02  0.460712D+00
                11            12            13            14            15 
      1  -0.901549D+01  0.460712D+00  0.150880D+00  0.732755D+01  0.101294D+01
      2  -0.284839D+01 -0.337010D+01  0.732755D+01  0.326772D+03 -0.347283D+01
      3  -0.337010D+01 -0.197411D+02  0.101294D+01 -0.347283D+01 -0.111922D+01
                16            17            18            19            20 
      1  -0.515225D+00  0.801898D+01 -0.120240D+01  0.990288D+00  0.765502D+01
      2   0.801898D+01  0.162149D+03 -0.100964D+02  0.765502D+01  0.409286D+01
      3  -0.120240D+01 -0.100964D+02  0.403764D+02 -0.254058D+01  0.469927D+01
                21            22            23            24            25 
      1  -0.254058D+01 -0.159670D+01  0.166797D+02  0.632239D+01 -0.162773D+01
      2   0.469927D+01  0.166797D+02  0.230002D+03 -0.621025D+02 -0.694414D+01
      3   0.283509D+02  0.632239D+01 -0.621025D+02 -0.481989D+02  0.373466D+01
                26            27            28            29            30 
      1  -0.694414D+01  0.373466D+01 -0.990288D+00 -0.765502D+01 -0.254058D+01
      2  -0.431220D+03 -0.247066D+01 -0.765502D+01 -0.409286D+01  0.469927D+01
      3  -0.247066D+01 -0.521818D+02 -0.254058D+01  0.469927D+01 -0.283509D+02
                31            32            33            34            35 
      1   0.159670D+01 -0.166797D+02  0.632239D+01 -0.162773D+01 -0.694414D+01
      2  -0.166797D+02 -0.230002D+03 -0.621025D+02 -0.694414D+01 -0.431220D+03
      3   0.632239D+01 -0.621025D+02  0.481989D+02 -0.373466D+01  0.247066D+01
                36            37            38            39            40 
      1  -0.373466D+01  0.128606D+00  0.901549D+01  0.460712D+00 -0.150880D+00
      2   0.247066D+01  0.901549D+01  0.284839D+01 -0.337010D+01 -0.732755D+01
      3  -0.521818D+02  0.460712D+00 -0.337010D+01  0.197411D+02  0.101294D+01
                41            42            43            44            45 
      1  -0.732755D+01  0.101294D+01 -0.515225D+00  0.801898D+01  0.120240D+01
      2  -0.326772D+03 -0.347283D+01  0.801898D+01  0.162149D+03  0.100964D+02
      3  -0.347283D+01  0.111922D+01  0.120240D+01  0.100964D+02  0.403764D+02
                46            47            48            49            50 
      1  -0.110121D+01  0.382806D+01  0.771951D+01 -0.243628D+01 -0.414089D+00
      2   0.382806D+01 -0.232041D+02 -0.396940D+00 -0.414089D+00  0.111459D+03
      3   0.771951D+01 -0.396940D+00  0.647116D+01  0.220661D+01 -0.176692D+01
                51            52            53            54            55 
      1   0.220661D+01  0.113509D+01 -0.343054D+01  0.100709D+01  0.743022D-01
      2  -0.176692D+01 -0.343054D+01  0.437091D+02  0.842602D+01 -0.164271D+01
      3  -0.292868D+02  0.100709D+01  0.842602D+01 -0.705241D+01 -0.730113D+00
                56            57            58            59            60 
      1  -0.164271D+01 -0.730113D+00 -0.241585D+00 -0.270331D+00  0.239414D+00
      2   0.425874D+01  0.164777D+00 -0.270331D+00 -0.223697D+01  0.129491D+01
      3   0.164777D+00 -0.265068D+01  0.239414D+00  0.129491D+01 -0.269138D+01
                61            62            63            64            65 
      1   0.608357D+00  0.363677D-02 -0.535130D+00 -0.135067D+01  0.546291D+01
      2   0.363677D-02  0.534007D+01 -0.500156D+00  0.546291D+01 -0.654691D+01
      3  -0.535130D+00 -0.500156D+00  0.764043D+01  0.642074D+01  0.621237D-01
                66            67            68            69            70 
      1   0.642074D+01  0.140568D+01  0.115716D+01 -0.213997D+01  0.258354D+01
      2   0.621237D-01  0.115716D+01 -0.322039D+02  0.118502D+02 -0.463917D-01
      3   0.160039D+01 -0.213997D+01  0.118502D+02  0.328501D+02  0.141501D+01
                71            72            73            74            75 
      1  -0.463917D-01  0.141501D+01  0.405575D-02 -0.492695D-01 -0.368158D+00
      2   0.609553D+02 -0.133112D+01 -0.492695D-01  0.104196D+01 -0.642716D+00
      3  -0.133112D+01 -0.854049D+01 -0.368158D+00 -0.642716D+00 -0.128678D+01
                76            77            78            79            80 
      1   0.389536D+00 -0.312785D+00 -0.474764D+00  0.712877D+00 -0.669927D+00
      2  -0.312785D+00  0.119993D+02  0.484370D+01 -0.669927D+00  0.819693D+01
      3  -0.474764D+00  0.484370D+01  0.543834D+01 -0.111090D+01  0.784030D+01
                81            82            83            84            85 
      1  -0.111090D+01 -0.107812D+01  0.886712D+01  0.207532D+01  0.288144D+01
      2   0.784030D+01  0.886712D+01  0.345669D+01 -0.163007D+01 -0.150407D+01
      3   0.122501D+02  0.207532D+01 -0.163007D+01 -0.258284D+01 -0.165766D+01
                86            87            88            89            90 
      1  -0.150407D+01 -0.165766D+01 -0.119593D+01 -0.793251D+00 -0.223491D+01
      2   0.235271D+02  0.187612D+02 -0.793251D+00 -0.137933D+02  0.206712D+02
      3   0.187612D+02  0.205381D+02 -0.223491D+01  0.206712D+02  0.179827D+02
                91            92            93            94            95 
      1   0.975038D-01 -0.212735D+00 -0.429147D+00  0.723068D+00 -0.626520D+00
      2  -0.212735D+00 -0.332824D+01  0.382564D-01 -0.626520D+00  0.201976D+02
      3  -0.429147D+00  0.382564D-01  0.117228D+01  0.530766D-01  0.997104D-01
                96            97            98            99           100 
      1   0.530766D-01 -0.155236D+00  0.781116D-01 -0.145639D+00  0.516373D+00
      2   0.997104D-01  0.781116D-01 -0.346372D+01  0.156358D+01  0.918438D+00
      3  -0.557775D+00 -0.145639D+00  0.156358D+01  0.755772D+00 -0.186698D+01
               101           102           103           104           105 
      1   0.918438D+00 -0.186698D+01 -0.134214D+01  0.212575D+01  0.115259D+01
      2  -0.667470D+01  0.216521D+00  0.212575D+01 -0.401409D+02 -0.221069D+02
      3   0.216521D+00  0.821639D+01  0.115259D+01 -0.221069D+02 -0.172886D+00
               106           107           108           109           110 
      1  -0.621327D+00  0.407491D+01  0.997802D+00  0.444794D+00  0.234350D+01
      2   0.407491D+01  0.393764D+02 -0.189458D+02  0.234350D+01  0.117790D+02
      3   0.997802D+00 -0.189458D+02 -0.122348D+02 -0.358787D+01  0.134544D+01
               111           112           113           114           115 
      1  -0.358787D+01  0.155330D+01 -0.886353D+01 -0.479632D+01 -0.768746D+00
      2   0.134544D+01 -0.886353D+01  0.587181D+02  0.625358D+02 -0.195179D+01
      3  -0.977365D+00 -0.479632D+01  0.625358D+02  0.639304D+02  0.814936D+00
               116           117           118           119           120 
      1  -0.195179D+01  0.814936D+00  0.160922D-01 -0.110470D+01  0.326917D-01
      2  -0.472060D+02  0.264220D+01 -0.110470D+01  0.112175D+02 -0.101658D+01
      3   0.264220D+01 -0.480581D+01  0.326917D-01 -0.101658D+01 -0.800274D+01
               121           122           123           124           125 
      1   0.614454D+00  0.119095D+01 -0.675013D-01 -0.324868D+00 -0.639957D+00
      2   0.119095D+01  0.319820D+02 -0.620736D+01 -0.639957D+00  0.458078D+00
      3  -0.675013D-01 -0.620736D+01  0.581167D+01 -0.343819D-01  0.706304D+01
               126           127           128           129           130 
      1  -0.343819D-01 -0.803762D+01  0.329842D+01  0.523916D+01  0.199621D+01
      2   0.706304D+01  0.329842D+01 -0.120330D+02 -0.136290D+02  0.887950D+00
      3  -0.218592D+01  0.523916D+01 -0.136290D+02 -0.183834D+02 -0.236472D+01
               131           132           133           134           135 
      1   0.887950D+00 -0.236472D+01  0.151487D+01 -0.353039D+01 -0.422934D+01
      2   0.872274D+02  0.661045D+01 -0.353039D+01  0.363972D+02  0.816059D+01
      3   0.661045D+01  0.947182D+01 -0.422934D+01  0.816059D+01  0.268333D+02
               136           137           138           139           140 
      1   0.775731D+01 -0.245174D+01 -0.617492D+01 -0.785047D+00  0.117400D+01
      2  -0.245174D+01  0.575665D+01  0.657542D+01  0.117400D+01 -0.436091D+01
      3  -0.617492D+01  0.657542D+01  0.141551D+02  0.355544D+00 -0.839769D+00
               141           142           143           144           145 
      1   0.355544D+00 -0.372998D+00  0.705506D+00  0.164716D+01  0.599941D+01
      2  -0.839769D+00  0.705506D+00 -0.110527D+02 -0.200146D+01 -0.194072D+01
      3   0.196832D+01  0.164716D+01 -0.200146D+01 -0.596773D+01  0.956781D-02
               146           147           148           149           150 
      1  -0.194072D+01  0.956781D-02 -0.141551D+01 -0.292872D+01  0.325601D-01
      2   0.476275D+01  0.249994D+01 -0.292872D+01 -0.136554D+02 -0.760090D+00
      3   0.249994D+01 -0.299519D+01  0.325601D-01 -0.760090D+00  0.693858D+01
               151           152           153           154           155 
      1  -0.197245D+00  0.473051D-01 -0.918171D+00  0.642315D+00  0.175147D+01
      2   0.473051D-01 -0.928130D+01  0.286579D+01  0.175147D+01  0.221968D+01
      3  -0.918171D+00  0.286579D+01 -0.901592D+01 -0.567763D+00 -0.113719D+01
               156           157           158           159           160 
      1  -0.567763D+00  0.122335D+01  0.176137D+01 -0.369931D+00 -0.114522D+00
      2  -0.113719D+01  0.176137D+01  0.826011D+01 -0.257042D+01 -0.181407D+00
      3   0.232469D+01 -0.369931D+00 -0.257042D+01  0.222642D+01  0.772494D+00
               161           162           163           164           165 
      1  -0.181407D+00  0.772494D+00 -0.655401D+01  0.176941D+01 -0.148356D+01
      2   0.892958D+00  0.142608D+01  0.176941D+01 -0.166717D+01  0.675711D+00
      3   0.142608D+01  0.150191D+00 -0.148356D+01  0.675711D+00 -0.336390D+01
               166           167           168           169           170 
      1   0.855128D+00 -0.940550D+00  0.404983D+00 -0.792913D-02 -0.345413D-01
      2  -0.940550D+00  0.140556D+01 -0.484642D+00 -0.345413D-01  0.580216D+00
      3   0.404983D+00 -0.484642D+00 -0.930273D+00 -0.103697D+01  0.250469D+00
               171           172           173           174           175 
      1  -0.103697D+01 -0.692433D+01 -0.666498D+00  0.188328D+01  0.109286D+00
      2   0.250469D+00 -0.666498D+00 -0.281319D+01 -0.120178D+01  0.170210D+01
      3   0.317004D+00  0.188328D+01 -0.120178D+01  0.451933D+01 -0.606880D+00
               176           177           178           179           180 
      1   0.170210D+01 -0.606880D+00  0.723806D+00 -0.439100D+00  0.238937D+01
      2   0.547755D+01  0.153659D+01 -0.439100D+00 -0.838281D+00 -0.617189D+01
      3   0.153659D+01 -0.860149D+01  0.238937D+01 -0.617189D+01  0.284482D+01
               181           182           183           184           185 
      1   0.783536D+01  0.970238D+00 -0.305640D+01 -0.894639D-01  0.792396D+00
      2   0.970238D+00  0.179997D+01 -0.204516D+00  0.792396D+00  0.280800D-01
      3  -0.305640D+01 -0.204516D+00  0.339059D+01 -0.352297D-01 -0.681865D+00
               186           187           188           189           190 
      1  -0.352297D-01 -0.731564D+00 -0.832740D-01  0.126819D+01 -0.239930D+00
      2  -0.681865D+00 -0.832740D-01  0.203759D+00  0.882074D+00  0.863752D+00
      3   0.764227D+00  0.126819D+01  0.882074D+00 -0.104748D+01 -0.198789D+01
               191           192           193           194           195 
      1   0.863752D+00 -0.198789D+01  0.557495D+00 -0.724122D+00  0.424314D+00
      2  -0.699984D+00  0.115603D+01 -0.724122D+00  0.235906D+01 -0.373850D+01
      3   0.115603D+01 -0.409361D+01  0.424314D+00 -0.373850D+01  0.627470D+01
               196           197           198           199           200 
      1  -0.972829D+00  0.220718D+00 -0.138162D+01  0.692433D+01  0.666498D+00
      2   0.220718D+00 -0.499633D+01  0.436034D+01  0.666498D+00  0.281319D+01
      3  -0.138162D+01  0.436034D+01 -0.134049D+02  0.188328D+01 -0.120178D+01
               201           202           203           204           205 
      1   0.188328D+01 -0.109286D+00 -0.170210D+01 -0.606880D+00  0.723806D+00
      2  -0.120178D+01 -0.170210D+01 -0.547755D+01  0.153659D+01 -0.439100D+00
      3  -0.451933D+01 -0.606880D+00  0.153659D+01  0.860149D+01 -0.238937D+01
               206           207           208           209           210 
      1  -0.439100D+00 -0.238937D+01  0.239930D+00 -0.863752D+00 -0.198789D+01
      2  -0.838281D+00  0.617189D+01 -0.863752D+00  0.699984D+00  0.115603D+01
      3   0.617189D+01  0.284482D+01 -0.198789D+01  0.115603D+01  0.409361D+01
               211           212           213           214           215 
      1  -0.557495D+00  0.724122D+00  0.424314D+00 -0.972829D+00  0.220718D+00
      2   0.724122D+00 -0.235906D+01 -0.373850D+01  0.220718D+00 -0.499633D+01
      3   0.424314D+00 -0.373850D+01 -0.627470D+01  0.138162D+01 -0.436034D+01
               216           217           218           219           220 
      1   0.138162D+01 -0.783536D+01 -0.970238D+00 -0.305640D+01  0.894639D-01
      2  -0.436034D+01 -0.970238D+00 -0.179997D+01 -0.204516D+00 -0.792396D+00
      3  -0.134049D+02 -0.305640D+01 -0.204516D+00 -0.339059D+01 -0.352297D-01
               221           222           223           224           225 
      1  -0.792396D+00 -0.352297D-01 -0.731564D+00 -0.832740D-01 -0.126819D+01
      2  -0.280800D-01 -0.681865D+00 -0.832740D-01  0.203759D+00 -0.882074D+00
      3  -0.681865D+00 -0.764227D+00 -0.126819D+01 -0.882074D+00 -0.104748D+01
               226           227           228           229           230 
      1  -0.599941D+01  0.194072D+01  0.956781D-02  0.141551D+01  0.292872D+01
      2   0.194072D+01 -0.476275D+01  0.249994D+01  0.292872D+01  0.136554D+02
      3   0.956781D-02  0.249994D+01  0.299519D+01  0.325601D-01 -0.760090D+00
               231           232           233           234           235 
      1   0.325601D-01 -0.197245D+00  0.473051D-01  0.918171D+00  0.655401D+01
      2  -0.760090D+00  0.473051D-01 -0.928130D+01 -0.286579D+01 -0.176941D+01
      3  -0.693858D+01  0.918171D+00 -0.286579D+01 -0.901592D+01 -0.148356D+01
               236           237           238           239           240 
      1  -0.176941D+01 -0.148356D+01 -0.855128D+00  0.940550D+00  0.404983D+00
      2   0.166717D+01  0.675711D+00  0.940550D+00 -0.140556D+01 -0.484642D+00
      3   0.675711D+00  0.336390D+01  0.404983D+00 -0.484642D+00  0.930273D+00
               241           242           243           244           245 
      1  -0.792913D-02 -0.345413D-01  0.103697D+01 -0.642315D+00 -0.175147D+01
      2  -0.345413D-01  0.580216D+00 -0.250469D+00 -0.175147D+01 -0.221968D+01
      3   0.103697D+01 -0.250469D+00  0.317004D+00 -0.567763D+00 -0.113719D+01
               246           247           248           249           250 
      1  -0.567763D+00 -0.122335D+01 -0.176137D+01 -0.369931D+00 -0.114522D+00
      2  -0.113719D+01 -0.176137D+01 -0.826011D+01 -0.257042D+01 -0.181407D+00
      3  -0.232469D+01 -0.369931D+00 -0.257042D+01 -0.222642D+01 -0.772494D+00
               251           252           253           254           255 
      1  -0.181407D+00 -0.772494D+00  0.803762D+01 -0.329842D+01  0.523916D+01
      2   0.892958D+00 -0.142608D+01 -0.329842D+01  0.120330D+02 -0.136290D+02
      3  -0.142608D+01  0.150191D+00  0.523916D+01 -0.136290D+02  0.183834D+02
               256           257           258           259           260 
      1  -0.199621D+01 -0.887950D+00 -0.236472D+01  0.151487D+01 -0.353039D+01
      2  -0.887950D+00 -0.872274D+02  0.661045D+01 -0.353039D+01  0.363972D+02
      3  -0.236472D+01  0.661045D+01 -0.947182D+01  0.422934D+01 -0.816059D+01
               261           262           263           264           265 
      1   0.422934D+01 -0.775731D+01  0.245174D+01 -0.617492D+01  0.785047D+00
      2  -0.816059D+01  0.245174D+01 -0.575665D+01  0.657542D+01 -0.117400D+01
      3   0.268333D+02 -0.617492D+01  0.657542D+01 -0.141551D+02  0.355544D+00
               266           267           268           269           270 
      1  -0.117400D+01  0.355544D+00 -0.372998D+00  0.705506D+00 -0.164716D+01
      2   0.436091D+01 -0.839769D+00  0.705506D+00 -0.110527D+02  0.200146D+01
      3  -0.839769D+00 -0.196832D+01 -0.164716D+01  0.200146D+01 -0.596773D+01
               271           272           273           274           275 
      1  -0.444794D+00 -0.234350D+01 -0.358787D+01 -0.155330D+01  0.886353D+01
      2  -0.234350D+01 -0.117790D+02  0.134544D+01  0.886353D+01 -0.587181D+02
      3  -0.358787D+01  0.134544D+01  0.977365D+00 -0.479632D+01  0.625358D+02
               276           277           278           279           280 
      1  -0.479632D+01 -0.768746D+00 -0.195179D+01 -0.814936D+00 -0.160922D-01
      2   0.625358D+02 -0.195179D+01 -0.472060D+02 -0.264220D+01  0.110470D+01
      3  -0.639304D+02 -0.814936D+00 -0.264220D+01 -0.480581D+01  0.326917D-01
               281           282           283           284           285 
      1   0.110470D+01  0.326917D-01 -0.614454D+00 -0.119095D+01 -0.675013D-01
      2  -0.112175D+02 -0.101658D+01 -0.119095D+01 -0.319820D+02 -0.620736D+01
      3  -0.101658D+01  0.800274D+01 -0.675013D-01 -0.620736D+01 -0.581167D+01
               286           287           288           289           290 
      1  -0.324868D+00 -0.639957D+00  0.343819D-01 -0.516373D+00 -0.918438D+00
      2  -0.639957D+00  0.458078D+00 -0.706304D+01 -0.918438D+00  0.667470D+01
      3   0.343819D-01 -0.706304D+01 -0.218592D+01 -0.186698D+01  0.216521D+00
               291           292           293           294           295 
      1  -0.186698D+01  0.134214D+01 -0.212575D+01  0.115259D+01 -0.621327D+00
      2   0.216521D+00 -0.212575D+01  0.401409D+02 -0.221069D+02  0.407491D+01
      3  -0.821639D+01  0.115259D+01 -0.221069D+02  0.172886D+00 -0.997802D+00
               296           297           298           299           300 
      1   0.407491D+01 -0.997802D+00  0.107812D+01 -0.886712D+01  0.207532D+01
      2   0.393764D+02  0.189458D+02 -0.886712D+01 -0.345669D+01 -0.163007D+01
      3   0.189458D+02 -0.122348D+02  0.207532D+01 -0.163007D+01  0.258284D+01
               301           302           303           304           305 
      1  -0.288144D+01  0.150407D+01 -0.165766D+01 -0.119593D+01 -0.793251D+00
      2   0.150407D+01 -0.235271D+02  0.187612D+02 -0.793251D+00 -0.137933D+02
      3  -0.165766D+01  0.187612D+02 -0.205381D+02  0.223491D+01 -0.206712D+02
               306           307           308           309           310 
      1   0.223491D+01 -0.975038D-01  0.212735D+00 -0.429147D+00 -0.723068D+00
      2  -0.206712D+02  0.212735D+00  0.332824D+01  0.382564D-01  0.626520D+00
      3   0.179827D+02 -0.429147D+00  0.382564D-01 -0.117228D+01  0.530766D-01
               311           312           313           314           315 
      1   0.626520D+00  0.530766D-01 -0.155236D+00  0.781116D-01  0.145639D+00
      2  -0.201976D+02  0.997104D-01  0.781116D-01 -0.346372D+01 -0.156358D+01
      3   0.997104D-01  0.557775D+00  0.145639D+00 -0.156358D+01  0.755772D+00
               316           317           318           319           320 
      1   0.135067D+01 -0.546291D+01  0.642074D+01 -0.140568D+01 -0.115716D+01
      2  -0.546291D+01  0.654691D+01  0.621236D-01 -0.115716D+01  0.322039D+02
      3   0.642074D+01  0.621236D-01 -0.160039D+01 -0.213997D+01  0.118502D+02
               321           322           323           324           325 
      1  -0.213997D+01  0.258354D+01 -0.463917D-01 -0.141501D+01 -0.405575D-02
      2   0.118502D+02 -0.463917D-01  0.609553D+02  0.133112D+01  0.492695D-01
      3  -0.328501D+02 -0.141501D+01  0.133112D+01 -0.854049D+01 -0.368158D+00
               326           327           328           329           330 
      1   0.492695D-01 -0.368158D+00 -0.389536D+00  0.312785D+00 -0.474764D+00
      2  -0.104196D+01 -0.642716D+00  0.312785D+00 -0.119993D+02  0.484370D+01
      3  -0.642716D+00  0.128678D+01 -0.474764D+00  0.484370D+01 -0.543834D+01
               331           332           333           334           335 
      1   0.712877D+00 -0.669927D+00  0.111090D+01  0.110121D+01 -0.382806D+01
      2  -0.669927D+00  0.819693D+01 -0.784030D+01 -0.382806D+01  0.232041D+02
      3   0.111090D+01 -0.784030D+01  0.122501D+02  0.771951D+01 -0.396940D+00
               336           337           338           339           340 
      1   0.771951D+01  0.243628D+01  0.414089D+00  0.220661D+01  0.113509D+01
      2  -0.396940D+00  0.414089D+00 -0.111459D+03 -0.176692D+01 -0.343054D+01
      3  -0.647116D+01  0.220661D+01 -0.176692D+01  0.292868D+02 -0.100709D+01
               341           342           343           344           345 
      1  -0.343054D+01 -0.100709D+01 -0.743022D-01  0.164271D+01 -0.730113D+00
      2   0.437091D+02 -0.842602D+01  0.164271D+01 -0.425874D+01  0.164777D+00
      3  -0.842602D+01 -0.705241D+01 -0.730113D+00  0.164777D+00  0.265068D+01
               346           347           348           349           350 
      1   0.241585D+00  0.270331D+00  0.239414D+00  0.608357D+00  0.363676D-02
      2   0.270331D+00  0.223697D+01  0.129491D+01  0.363676D-02  0.534007D+01
      3   0.239414D+00  0.129491D+01  0.269138D+01  0.535130D+00  0.500156D+00
               351 
      1   0.535130D+00
      2   0.500156D+00
      3   0.764043D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.183500D-05 -0.286889D+02  0.000000D+00 -0.971811D-05
      2   0.000000D+00  0.000000D+00 -0.146586D+03  0.000000D+00 -0.256565D-05
      3  -0.256652D+01 -0.155378D+04  0.000000D+00 -0.431295D+02 -0.543768D+02
                 6             7             8             9            10 
      1   0.267092D+02 -0.160419D+03 -0.544656D+04  0.124708D-05  0.987738D+02
      2  -0.921955D+02 -0.443920D+02 -0.259425D+04  0.163814D-05  0.492561D+02
      3   0.000000D+00  0.000000D+00  0.815459D-05 -0.364691D+04 -0.200900D+01
                11            12            13            14            15 
      1   0.322320D+03  0.993526D+02 -0.101197D+03 -0.472698D+04  0.271228D+03
      2  -0.721480D+02 -0.175289D+01 -0.203255D+02 -0.214103D+04  0.138382D+03
      3   0.521400D+03  0.140595D+04 -0.174873D+02  0.529041D+03 -0.238484D+04
                16            17            18            19            20 
      1  -0.642179D+02 -0.334686D+04 -0.164206D+03 -0.130723D+03 -0.441668D+03
      2  -0.212985D+02 -0.120125D+04  0.961382D+02 -0.686528D+02  0.124532D+03
      3   0.118795D+02  0.680909D+03 -0.320641D+04  0.331749D+02 -0.592208D+03
                21            22            23            24            25 
      1  -0.730984D+02 -0.184094D+03 -0.433052D+04  0.572295D+03  0.115310D+03
      2   0.517119D+02 -0.489761D+02 -0.223795D+04 -0.142549D+03  0.219617D+02
      3  -0.228917D+04  0.167455D+02 -0.141986D+04 -0.306338D+04  0.493478D+01
                26            27            28            29            30 
      1   0.656288D+04  0.276142D+02  0.130723D+03  0.441668D+03 -0.730984D+02
      2   0.291787D+04 -0.343761D+02  0.686528D+02 -0.124532D+03  0.517119D+02
      3  -0.224008D+03  0.409886D+04  0.331749D+02 -0.592208D+03  0.228917D+04
                31            32            33            34            35 
      1   0.184094D+03  0.433052D+04  0.572295D+03  0.115310D+03  0.656288D+04
      2   0.489761D+02  0.223795D+04 -0.142549D+03  0.219617D+02  0.291787D+04
      3   0.167455D+02 -0.141986D+04  0.306338D+04 -0.493478D+01  0.224008D+03
                36            37            38            39            40 
      1  -0.276142D+02 -0.987738D+02 -0.322320D+03  0.993526D+02  0.101197D+03
      2   0.343761D+02 -0.492561D+02  0.721480D+02 -0.175289D+01  0.203255D+02
      3   0.409886D+04 -0.200900D+01  0.521400D+03 -0.140595D+04 -0.174873D+02
                41            42            43            44            45 
      1   0.472698D+04  0.271228D+03 -0.642179D+02 -0.334686D+04  0.164206D+03
      2   0.214103D+04  0.138382D+03 -0.212985D+02 -0.120125D+04 -0.961382D+02
      3   0.529041D+03  0.238484D+04 -0.118795D+02 -0.680909D+03 -0.320641D+04
                46            47            48            49            50 
      1  -0.723740D+02  0.187824D+03 -0.689962D+02 -0.350481D+02 -0.958787D+03
      2  -0.176433D+02  0.234298D+03  0.129620D+02  0.129682D+02 -0.608935D+03
      3  -0.822538D+01  0.100487D+02 -0.201467D+03  0.365086D+02 -0.699277D+03
                51            52            53            54            55 
      1   0.269159D+03  0.547762D+01  0.195516D+03  0.124141D+02  0.211494D+02
      2  -0.962807D+02  0.729943D+01 -0.754115D+02 -0.179296D+03  0.674966D+01
      3  -0.424418D+03  0.153917D+02 -0.978492D+03  0.578277D+03 -0.588802D+01
                56            57            58            59            60 
      1  -0.557211D+02  0.112924D+02  0.390762D+00  0.165504D+02  0.223353D+02
      2  -0.562687D+02  0.407858D+00  0.276287D+01  0.110421D+02 -0.184758D+01
      3   0.229300D+01  0.124336D+03 -0.249188D+01 -0.199889D+02  0.365179D+02
                61            62            63            64            65 
      1   0.284732D+01 -0.485527D+02 -0.348260D+02 -0.353407D+02  0.878348D+02
      2  -0.396510D+01 -0.285394D+02 -0.127263D+01 -0.388448D+01  0.592222D+02
      3   0.673540D+01  0.889103D-01 -0.215702D+02  0.113731D+02 -0.196523D+02
                66            67            68            69            70 
      1  -0.149726D+02  0.125014D+02 -0.149788D+03 -0.215877D+03 -0.153687D+02
      2  -0.965283D+01 -0.931153D+01  0.119690D+03  0.155460D+03 -0.936066D+01
      3  -0.809923D+02 -0.425949D+02  0.103295D+04 -0.219748D+03  0.114103D+02
                71            72            73            74            75 
      1  -0.391112D+03  0.574206D+02  0.272956D+01 -0.147523D+02  0.126508D+02
      2  -0.325556D+03 -0.826840D+02  0.929185D+00 -0.209204D+02  0.173862D+01
      3  -0.525295D+03 -0.105483D+03 -0.637956D+00 -0.192235D+02  0.108741D+02
                76            77            78            79            80 
      1  -0.225455D+01 -0.108989D+03 -0.169707D+01  0.226974D+01 -0.452028D+02
      2  -0.310868D+01 -0.482578D+02  0.210082D+01 -0.420132D+01 -0.156637D+02
      3   0.193961D+01  0.523161D+01 -0.112903D+03  0.154309D+02 -0.130688D+02
                81            82            83            84            85 
      1  -0.309916D+02  0.702484D+01 -0.393305D+02  0.226310D+02  0.108193D+02
      2  -0.340125D+01 -0.254803D+01 -0.426618D+02  0.127118D+02 -0.508511D+01
      3  -0.251907D+02 -0.103036D+02  0.694986D+02  0.575774D+02  0.107378D+01
                86            87            88            89            90 
      1  -0.110295D+03 -0.126171D+03  0.125941D+02 -0.223012D+02 -0.449238D+02
      2   0.153085D+02  0.509936D+02  0.498535D+01  0.160410D+03  0.174483D+03
      3   0.398913D+03 -0.140484D+03 -0.360295D+02  0.108207D+04  0.128444D+03
                91            92            93            94            95 
      1  -0.370616D+01  0.333404D+02 -0.150772D+01 -0.376129D+01 -0.237515D+02
      2  -0.187504D+01  0.341916D+02  0.283868D+00 -0.595072D+00 -0.274747D+02
      3   0.635425D+01 -0.597853D+02 -0.837997D+02  0.759669D+01 -0.817271D+01
                96            97            98            99           100 
      1   0.980572D+01  0.136721D+00 -0.135427D+02 -0.941109D+00 -0.379671D+01
      2   0.208396D+01 -0.106981D+01 -0.277877D+01  0.230072D+01 -0.129515D+02
      3  -0.468583D+02 -0.102695D+01  0.107355D+02 -0.149316D+02  0.278716D+02
               101           102           103           104           105 
      1   0.441429D+02 -0.588779D+00  0.665397D+01  0.294704D+03 -0.178799D+03
      2   0.124175D+03  0.903779D+02  0.538756D+00  0.109597D+03 -0.130576D+03
      3   0.378224D+03 -0.319074D+03  0.373599D+02 -0.762129D+03 -0.319968D+03
               106           107           108           109           110 
      1  -0.288115D+02 -0.932487D+03  0.146853D+03  0.137776D+02 -0.135165D+03
      2  -0.125174D+02 -0.549982D+03 -0.728279D+02  0.172967D+01 -0.105135D+03
      3  -0.737218D+01 -0.516623D+03 -0.265597D+03 -0.107414D+02 -0.591678D+02
               111           112           113           114           115 
      1  -0.117507D+02  0.817995D+02 -0.108942D+02 -0.680939D+03  0.114284D+02
      2   0.177396D+02  0.219979D+02  0.217250D+03  0.615281D+02  0.120096D+02
      3   0.129080D+03 -0.108392D+02  0.915720D+03  0.257819D+03 -0.263186D+02
               116           117           118           119           120 
      1   0.938468D+03  0.767817D+02  0.227681D+02 -0.778920D+02  0.162773D+02
      2   0.554463D+03  0.192351D+03  0.150160D+02 -0.142136D+03 -0.338683D+02
      3   0.896522D+03  0.438161D+03 -0.210180D+02  0.620847D+02  0.435884D+03
               121           122           123           124           125 
      1  -0.110659D+02 -0.371393D+03  0.216786D+01  0.451624D+01 -0.619358D+02
      2   0.710395D+00 -0.189213D+03  0.804346D+01  0.163782D+01 -0.261665D+02
      3   0.413065D+01 -0.232493D+01 -0.399742D+03 -0.906043D+01  0.595796D+01
               126           127           128           129           130 
      1  -0.274860D+02 -0.228656D+02  0.320421D+03  0.978491D+02 -0.171951D+02
      2  -0.114729D+02 -0.136816D+02  0.796889D+02  0.286463D+02 -0.240670D+01
      3   0.517809D+01 -0.225587D+02  0.379691D+03  0.546663D+03  0.177960D+02
               131           132           133           134           135 
      1  -0.129491D+04 -0.541177D+02  0.310735D+02 -0.368824D+03 -0.104430D+03
      2  -0.598590D+03 -0.119102D+02  0.559352D+01 -0.225965D+03 -0.728491D+01
      3  -0.897326D+01 -0.848334D+03  0.125229D+02  0.217416D+03 -0.658224D+02
               136           137           138           139           140 
      1   0.237990D+02 -0.902432D+02 -0.637473D+02 -0.478702D+01  0.414921D+02
      2   0.161152D+02 -0.328938D+02 -0.230168D+01 -0.163375D+01  0.170650D+02
      3   0.385300D+01  0.373494D+02 -0.422662D+02 -0.142733D+00 -0.167707D+01
               141           142           143           144           145 
      1  -0.680209D+01 -0.692080D+01  0.115632D+03  0.365389D+02  0.675485D+01
      2   0.261926D+01 -0.311476D+01  0.425702D+02  0.672468D+01  0.207024D+02
      3  -0.937684D+02  0.514020D+01  0.588592D+02 -0.519853D+02  0.139423D+02
               146           147           148           149           150 
      1  -0.130031D+03 -0.159832D+02  0.211417D+02  0.227587D+03 -0.868308D+01
      2  -0.790982D+02  0.530295D+01 -0.321631D+01  0.813828D+02  0.944022D+01
      3  -0.154885D+02 -0.191835D+02 -0.399242D+01  0.844350D+02  0.246746D+03
               151           152           153           154           155 
      1   0.368376D+01  0.162404D+03 -0.671993D+01 -0.631549D+01 -0.813494D+01
      2  -0.197762D+01  0.571344D+02 -0.709943D+01  0.177785D+01  0.585566D+01
      3   0.221562D+01  0.631728D+02  0.247229D+03  0.208581D+00  0.114184D+02
               156           157           158           159           160 
      1   0.126064D+01 -0.733773D+01 -0.458334D+02  0.372622D+01 -0.918272D+00
      2   0.537483D+00  0.432786D+01 -0.488170D+01  0.200363D+01 -0.846874D+00
      3  -0.112780D+02  0.497481D+01  0.406572D+01 -0.169539D+02 -0.326807D+00
               161           162           163           164           165 
      1  -0.205207D+02 -0.981972D+01 -0.383178D+01  0.121897D+02  0.546697D+01
      2  -0.789488D+01  0.875645D+00 -0.224240D+02  0.916067D+01 -0.152169D+01
      3  -0.764988D+01 -0.257035D+02 -0.129875D+02 -0.424922D+00  0.767297D+01
               166           167           168           169           170 
      1   0.276468D+01 -0.330012D+01  0.167841D+01  0.247110D+01 -0.117007D+02
      2   0.267280D+01 -0.681455D+00  0.499961D+00 -0.474399D+00 -0.760181D+01
      3   0.258120D+01 -0.625653D+01 -0.116129D+01  0.745647D-01 -0.100666D+02
               171           172           173           174           175 
      1  -0.455351D+01  0.339683D+01  0.672436D+02  0.133367D+01 -0.104884D+02
      2  -0.452036D+01 -0.323889D+02  0.285081D+02  0.161064D+02  0.620101D+00
      3   0.118034D+02 -0.500478D+01 -0.374121D+01  0.727392D+02  0.179924D+01
               176           177           178           179           180 
      1  -0.868964D+02 -0.239061D+01  0.122781D+01  0.482261D+02  0.347861D+02
      2  -0.240467D+02 -0.935885D+01  0.297003D+01  0.130559D+02  0.107907D+02
      3  -0.290191D+02 -0.891301D+02  0.161495D+01  0.419854D+01  0.687826D+02
               181           182           183           184           185 
      1  -0.314563D+01 -0.153620D+02 -0.179783D+01 -0.386391D+01 -0.291023D-01
      2   0.366223D+02  0.272069D+01 -0.947664D+01 -0.450281D+00  0.209845D+01
      3   0.716523D+01 -0.762367D+01 -0.144789D+02  0.421745D+00  0.490640D+01
               186           187           188           189           190 
      1   0.136093D+01 -0.585459D+00 -0.395048D+01 -0.483105D+01 -0.316082D+01
      2   0.305461D+00 -0.376420D+01 -0.149457D+01  0.768978D+01 -0.211376D+01
      3   0.924918D+00 -0.599810D+00  0.567556D+01 -0.766258D+01 -0.360255D+00
               191           192           193           194           195 
      1  -0.389897D+01 -0.132735D+01  0.380639D+01 -0.333921D+01  0.119402D+02
      2   0.132039D+01 -0.102348D+02  0.375322D+01 -0.162970D+01  0.516072D+01
      3  -0.758938D+01 -0.205595D+02  0.209480D+01  0.668023D+01  0.170977D+02
               196           197           198           199           200 
      1   0.107060D+01  0.569317D+02 -0.109686D+02 -0.339683D+01 -0.672436D+02
      2  -0.758019D+01  0.228499D+02 -0.104787D+02  0.323889D+02 -0.285081D+02
      3  -0.220244D+01  0.105631D+02  0.370853D+02 -0.500478D+01 -0.374121D+01
               201           202           203           204           205 
      1   0.133367D+01  0.104884D+02  0.868964D+02 -0.239061D+01  0.122781D+01
      2   0.161064D+02 -0.620102D+00  0.240467D+02 -0.935885D+01  0.297003D+01
      3  -0.727392D+02  0.179924D+01 -0.290191D+02  0.891301D+02 -0.161495D+01
               206           207           208           209           210 
      1   0.482261D+02 -0.347861D+02  0.316082D+01  0.389897D+01 -0.132735D+01
      2   0.130559D+02 -0.107907D+02  0.211376D+01 -0.132040D+01 -0.102348D+02
      3  -0.419854D+01  0.687826D+02 -0.360255D+00 -0.758938D+01  0.205595D+02
               211           212           213           214           215 
      1  -0.380639D+01  0.333921D+01  0.119402D+02  0.107060D+01  0.569317D+02
      2  -0.375322D+01  0.162970D+01  0.516072D+01 -0.758019D+01  0.228499D+02
      3   0.209480D+01  0.668023D+01 -0.170977D+02  0.220244D+01 -0.105631D+02
               216           217           218           219           220 
      1   0.109686D+02  0.314563D+01  0.153620D+02 -0.179783D+01  0.386391D+01
      2   0.104787D+02 -0.366223D+02 -0.272069D+01 -0.947664D+01  0.450281D+00
      3   0.370853D+02  0.716523D+01 -0.762367D+01  0.144789D+02  0.421745D+00
               221           222           223           224           225 
      1   0.291023D-01  0.136093D+01 -0.585459D+00 -0.395048D+01  0.483105D+01
      2  -0.209845D+01  0.305461D+00 -0.376420D+01 -0.149457D+01 -0.768978D+01
      3   0.490640D+01 -0.924918D+00  0.599810D+00 -0.567556D+01 -0.766258D+01
               226           227           228           229           230 
      1  -0.675485D+01  0.130031D+03 -0.159832D+02 -0.211417D+02 -0.227587D+03
      2  -0.207024D+02  0.790982D+02  0.530295D+01  0.321631D+01 -0.813828D+02
      3   0.139423D+02 -0.154885D+02  0.191835D+02 -0.399242D+01  0.844350D+02
               231           232           233           234           235 
      1  -0.868308D+01  0.368376D+01  0.162404D+03  0.671993D+01  0.383178D+01
      2   0.944022D+01 -0.197762D+01  0.571344D+02  0.709943D+01  0.224240D+02
      3  -0.246746D+03 -0.221562D+01 -0.631728D+02  0.247229D+03 -0.129875D+02
               236           237           238           239           240 
      1  -0.121897D+02  0.546697D+01 -0.276468D+01  0.330012D+01  0.167841D+01
      2  -0.916067D+01 -0.152169D+01 -0.267280D+01  0.681455D+00  0.499961D+00
      3  -0.424922D+00 -0.767297D+01  0.258120D+01 -0.625653D+01  0.116129D+01
               241           242           243           244           245 
      1   0.247110D+01 -0.117007D+02  0.455351D+01  0.631549D+01  0.813494D+01
      2  -0.474399D+00 -0.760181D+01  0.452036D+01 -0.177785D+01 -0.585566D+01
      3  -0.745646D-01  0.100666D+02  0.118034D+02  0.208581D+00  0.114184D+02
               246           247           248           249           250 
      1   0.126064D+01  0.733773D+01  0.458334D+02  0.372622D+01 -0.918272D+00
      2   0.537483D+00 -0.432786D+01  0.488170D+01  0.200363D+01 -0.846874D+00
      3   0.112780D+02  0.497481D+01  0.406572D+01  0.169539D+02  0.326807D+00
               251           252           253           254           255 
      1  -0.205207D+02  0.981972D+01  0.228656D+02 -0.320421D+03  0.978491D+02
      2  -0.789488D+01 -0.875645D+00  0.136816D+02 -0.796889D+02  0.286463D+02
      3   0.764988D+01 -0.257035D+02 -0.225587D+02  0.379691D+03 -0.546663D+03
               256           257           258           259           260 
      1   0.171951D+02  0.129491D+04 -0.541177D+02  0.310735D+02 -0.368825D+03
      2   0.240670D+01  0.598590D+03 -0.119102D+02  0.559352D+01 -0.225965D+03
      3   0.177960D+02 -0.897326D+01  0.848334D+03 -0.125229D+02 -0.217416D+03
               261           262           263           264           265 
      1   0.104430D+03 -0.237990D+02  0.902432D+02 -0.637473D+02  0.478702D+01
      2   0.728491D+01 -0.161152D+02  0.328938D+02 -0.230168D+01  0.163375D+01
      3  -0.658224D+02  0.385300D+01  0.373494D+02  0.422662D+02 -0.142733D+00
               266           267           268           269           270 
      1  -0.414921D+02 -0.680209D+01 -0.692080D+01  0.115632D+03 -0.365389D+02
      2  -0.170650D+02  0.261926D+01 -0.311476D+01  0.425702D+02 -0.672468D+01
      3  -0.167707D+01  0.937684D+02 -0.514020D+01 -0.588592D+02 -0.519853D+02
               271           272           273           274           275 
      1  -0.137776D+02  0.135165D+03 -0.117507D+02 -0.817995D+02  0.108942D+02
      2  -0.172967D+01  0.105135D+03  0.177396D+02 -0.219979D+02 -0.217250D+03
      3  -0.107414D+02 -0.591678D+02 -0.129080D+03 -0.108392D+02  0.915720D+03
               276           277           278           279           280 
      1  -0.680939D+03  0.114284D+02  0.938468D+03 -0.767817D+02 -0.227681D+02
      2   0.615281D+02  0.120096D+02  0.554463D+03 -0.192351D+03 -0.150160D+02
      3  -0.257819D+03  0.263186D+02 -0.896522D+03  0.438161D+03 -0.210180D+02
               281           282           283           284           285 
      1   0.778920D+02  0.162773D+02  0.110659D+02  0.371393D+03  0.216786D+01
      2   0.142136D+03 -0.338683D+02 -0.710395D+00  0.189213D+03  0.804346D+01
      3   0.620847D+02 -0.435884D+03  0.413065D+01 -0.232493D+01  0.399742D+03
               286           287           288           289           290 
      1   0.451624D+01 -0.619358D+02  0.274860D+02  0.379671D+01 -0.441429D+02
      2   0.163782D+01 -0.261665D+02  0.114729D+02  0.129515D+02 -0.124175D+03
      3   0.906043D+01 -0.595796D+01  0.517809D+01  0.278716D+02  0.378224D+03
               291           292           293           294           295 
      1  -0.588777D+00 -0.665397D+01 -0.294704D+03 -0.178799D+03 -0.288115D+02
      2   0.903779D+02 -0.538756D+00 -0.109597D+03 -0.130576D+03 -0.125174D+02
      3   0.319074D+03  0.373599D+02 -0.762129D+03  0.319968D+03  0.737218D+01
               296           297           298           299           300 
      1  -0.932487D+03 -0.146853D+03 -0.702485D+01  0.393305D+02  0.226310D+02
      2  -0.549982D+03  0.728279D+02  0.254803D+01  0.426618D+02  0.127118D+02
      3   0.516623D+03 -0.265597D+03 -0.103036D+02  0.694986D+02 -0.575774D+02
               301           302           303           304           305 
      1  -0.108193D+02  0.110295D+03 -0.126171D+03  0.125941D+02 -0.223012D+02
      2   0.508511D+01 -0.153085D+02  0.509936D+02  0.498535D+01  0.160410D+03
      3   0.107378D+01  0.398913D+03  0.140484D+03  0.360295D+02 -0.108207D+04
               306           307           308           309           310 
      1   0.449238D+02  0.370616D+01 -0.333404D+02 -0.150772D+01  0.376129D+01
      2  -0.174483D+03  0.187504D+01 -0.341916D+02  0.283868D+00  0.595072D+00
      3   0.128444D+03  0.635425D+01 -0.597853D+02  0.837997D+02  0.759669D+01
               311           312           313           314           315 
      1   0.237515D+02  0.980572D+01  0.136721D+00 -0.135427D+02  0.941109D+00
      2   0.274747D+02  0.208396D+01 -0.106981D+01 -0.277877D+01 -0.230072D+01
      3  -0.817271D+01  0.468583D+02  0.102695D+01 -0.107355D+02 -0.149316D+02
               316           317           318           319           320 
      1   0.353407D+02 -0.878348D+02 -0.149726D+02 -0.125014D+02  0.149788D+03
      2   0.388448D+01 -0.592222D+02 -0.965283D+01  0.931153D+01 -0.119690D+03
      3   0.113731D+02 -0.196523D+02  0.809923D+02 -0.425949D+02  0.103295D+04
               321           322           323           324           325 
      1  -0.215877D+03 -0.153687D+02 -0.391112D+03 -0.574206D+02 -0.272956D+01
      2   0.155460D+03 -0.936066D+01 -0.325556D+03  0.826840D+02 -0.929185D+00
      3   0.219748D+03 -0.114103D+02  0.525295D+03 -0.105483D+03 -0.637956D+00
               326           327           328           329           330 
      1   0.147523D+02  0.126508D+02  0.225455D+01  0.108989D+03 -0.169707D+01
      2   0.209204D+02  0.173862D+01  0.310868D+01  0.482578D+02  0.210082D+01
      3  -0.192235D+02 -0.108741D+02  0.193961D+01  0.523161D+01  0.112903D+03
               331           332           333           334           335 
      1   0.226974D+01 -0.452028D+02  0.309916D+02  0.723740D+02 -0.187824D+03
      2  -0.420132D+01 -0.156637D+02  0.340125D+01  0.176433D+02 -0.234298D+03
      3  -0.154309D+02  0.130688D+02 -0.251907D+02 -0.822538D+01  0.100487D+02
               336           337           338           339           340 
      1  -0.689962D+02  0.350481D+02  0.958787D+03  0.269159D+03  0.547762D+01
      2   0.129620D+02 -0.129682D+02  0.608935D+03 -0.962807D+02  0.729943D+01
      3   0.201467D+03  0.365086D+02 -0.699277D+03  0.424418D+03 -0.153917D+02
               341           342           343           344           345 
      1   0.195516D+03 -0.124141D+02 -0.211494D+02  0.557211D+02  0.112924D+02
      2  -0.754115D+02  0.179296D+03 -0.674966D+01  0.562687D+02  0.407858D+00
      3   0.978492D+03  0.578277D+03 -0.588802D+01  0.229300D+01 -0.124336D+03
               346           347           348           349           350 
      1  -0.390762D+00 -0.165504D+02  0.223353D+02  0.284732D+01 -0.485527D+02
      2  -0.276287D+01 -0.110421D+02 -0.184758D+01 -0.396510D+01 -0.285394D+02
      3  -0.249188D+01 -0.199889D+02 -0.365179D+02 -0.673540D+01 -0.889104D-01
               351 
      1   0.348260D+02
      2   0.127263D+01
      3  -0.215702D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.566606D+02 -0.900979D+01  0.000000D+00  0.445680D+00 -0.399536D+02
      2  -0.394077D+02  0.436934D+01  0.000000D+00 -0.193121D+01  0.181407D+02
      3  -0.172529D+02  0.464045D+01  0.000000D+00  0.148553D+01  0.218129D+02
      4   0.268722D+01  0.264442D+02  0.000000D+00 -0.165932D+01  0.330075D+01
      5   0.000000D+00  0.000000D+00 -0.777384D+01  0.000000D+00  0.000000D+00
      6   0.000000D+00  0.000000D+00  0.419710D+01  0.000000D+00  0.000000D+00
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00 -0.275853D+02  0.184151D+00
      2   0.000000D+00  0.000000D+00  0.000000D+00  0.108953D+02 -0.316808D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00  0.166900D+02  0.298393D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.674526D+02  0.154962D+00
      5   0.107235D+01  0.394454D+01 -0.618180D+02  0.000000D+00  0.307851D+01
      6  -0.380976D+02  0.224614D+02  0.324256D+03  0.000000D+00 -0.176656D+02
                11            12            13            14            15 
      1  -0.266047D+01  0.308814D+02 -0.325341D+01  0.442285D+02 -0.268615D+02
      2   0.160313D+02  0.307333D+01  0.150694D+01 -0.126928D+02  0.136145D+02
      3  -0.133709D+02 -0.339548D+02  0.174647D+01 -0.315356D+02  0.132469D+02
      4  -0.159158D+02 -0.227040D+02  0.798577D+01 -0.629898D+01  0.459977D+02
      5  -0.216027D+02 -0.777253D+00  0.288468D+01 -0.659530D+02  0.213808D+01
      6   0.418373D+02 -0.787175D+01  0.154309D+02  0.459631D+03 -0.438656D+02
                16            17            18            19            20 
      1   0.949017D+00  0.972104D+02 -0.651623D+02  0.325789D+01 -0.580190D+01
      2   0.560118D+01 -0.119714D+03 -0.316016D+02 -0.497026D+01 -0.231900D+01
      3  -0.655019D+01  0.225036D+02  0.967639D+02  0.171237D+01  0.812090D+01
      4   0.193796D+01 -0.110754D+01  0.519048D+02  0.178869D+01  0.379449D+01
      5  -0.775407D+01 -0.238917D+02 -0.862521D+00 -0.184409D+01  0.263886D+02
      6   0.156549D+02  0.946516D+02  0.459533D+02  0.318049D+01 -0.454170D+02
                21            22            23            24            25 
      1  -0.500741D+02 -0.908008D+01  0.617998D+02  0.456819D+02 -0.599375D+01
      2   0.944821D+01  0.124200D+02 -0.814402D+02 -0.793818D+02  0.108322D+02
      3   0.406259D+02 -0.333992D+01  0.196404D+02  0.336999D+02 -0.483844D+01
      4   0.295476D+02  0.428574D+01  0.432014D+02  0.698745D+02  0.160600D+01
      5   0.115251D+02  0.137528D+02 -0.421800D+02  0.107820D+02  0.155818D+02
      6   0.593930D+01  0.537152D+02 -0.352823D+02 -0.348725D+03 -0.208003D+01
                26            27            28            29            30 
      1   0.176721D+02  0.893009D+02  0.325789D+01 -0.580190D+01  0.500741D+02
      2  -0.374487D+02 -0.838695D+02 -0.497026D+01 -0.231900D+01 -0.944821D+01
      3   0.197766D+02 -0.543141D+01  0.171237D+01  0.812090D+01 -0.406259D+02
      4   0.495941D+01 -0.661144D+02  0.178869D+01  0.379449D+01 -0.295476D+02
      5   0.758137D+02 -0.121115D+02  0.184409D+01 -0.263886D+02  0.115251D+02
      6  -0.602215D+03 -0.734539D+02 -0.318049D+01  0.454170D+02  0.593930D+01
                31            32            33            34            35 
      1  -0.908008D+01  0.617998D+02 -0.456819D+02  0.599375D+01 -0.176721D+02
      2   0.124200D+02 -0.814402D+02  0.793818D+02 -0.108322D+02  0.374487D+02
      3  -0.333992D+01  0.196404D+02 -0.336999D+02  0.483844D+01 -0.197766D+02
      4   0.428574D+01  0.432014D+02 -0.698745D+02 -0.160600D+01 -0.495941D+01
      5  -0.137528D+02  0.421800D+02  0.107820D+02  0.155818D+02  0.758137D+02
      6  -0.537152D+02  0.352823D+02 -0.348725D+03 -0.208003D+01 -0.602215D+03
                36            37            38            39            40 
      1   0.893009D+02  0.184151D+00 -0.266047D+01 -0.308814D+02 -0.325341D+01
      2  -0.838695D+02 -0.316808D+01  0.160313D+02 -0.307333D+01  0.150694D+01
      3  -0.543140D+01  0.298393D+01 -0.133709D+02  0.339548D+02  0.174647D+01
      4  -0.661144D+02  0.154962D+00 -0.159158D+02  0.227040D+02  0.798577D+01
      5   0.121115D+02 -0.307851D+01  0.216027D+02 -0.777253D+00 -0.288468D+01
      6   0.734539D+02  0.176656D+02 -0.418373D+02 -0.787175D+01 -0.154309D+02
                41            42            43            44            45 
      1   0.442285D+02  0.268615D+02 -0.949017D+00 -0.972104D+02 -0.651623D+02
      2  -0.126928D+02 -0.136145D+02 -0.560118D+01  0.119714D+03 -0.316016D+02
      3  -0.315356D+02 -0.132469D+02  0.655019D+01 -0.225036D+02  0.967639D+02
      4  -0.629898D+01 -0.459977D+02 -0.193796D+01  0.110754D+01  0.519048D+02
      5   0.659530D+02  0.213808D+01 -0.775407D+01 -0.238917D+02  0.862521D+00
      6  -0.459631D+03 -0.438656D+02  0.156549D+02  0.946516D+02 -0.459533D+02
                46            47            48            49            50 
      1   0.562043D+01  0.569216D+01 -0.119789D+02  0.329086D+01 -0.442393D+02
      2  -0.266858D+02 -0.183044D+02 -0.897802D+01 -0.127816D+02  0.150126D+03
      3   0.210653D+02  0.126123D+02  0.209569D+02  0.949072D+01 -0.105887D+03
      4  -0.110009D+01  0.138008D+02  0.317086D+02 -0.996359D+01  0.388254D+01
      5  -0.679663D+01  0.331596D+02  0.611554D+02 -0.151075D+02 -0.231120D+02
      6   0.326298D+02 -0.546825D+02  0.863358D+01  0.454224D+01  0.215460D+03
                51            52            53            54            55 
      1   0.819564D+01  0.854459D+00 -0.748597D+02  0.677102D+01  0.959320D+00
      2   0.102540D+03 -0.524847D+01  0.814485D+02  0.184610D+01 -0.149989D+01
      3  -0.110736D+03  0.439401D+01 -0.658876D+01 -0.861712D+01  0.540574D+00
      4   0.100096D+02  0.105352D+01  0.977187D+01 -0.714479D+01  0.522443D+00
      5   0.620976D+01  0.127393D+02 -0.167113D+02  0.485553D+00  0.563176D+00
      6  -0.141413D+03 -0.762699D+01  0.181541D+03 -0.886104D+01 -0.701786D+01
                56            57            58            59            60 
      1   0.681036D-01  0.414753D+01 -0.126493D+00 -0.295526D+01  0.517954D+01
      2   0.404473D+00  0.361515D+01 -0.159482D+01 -0.793353D+01  0.200413D+02
      3  -0.472577D+00 -0.776267D+01  0.172132D+01  0.108888D+02 -0.252208D+02
      4  -0.186613D+01 -0.491249D+01  0.800945D+00  0.713304D+00 -0.156029D+01
      5  -0.854144D+01 -0.436148D+01 -0.305438D+01 -0.751941D+00  0.199453D+01
      6   0.939836D+01 -0.708799D+00 -0.991412D+00 -0.144475D+01  0.345782D+01
                61            62            63            64            65 
      1   0.685153D+00  0.497261D+00 -0.189383D+02 -0.526833D+01 -0.502396D+01
      2   0.291912D+01  0.664909D+01 -0.433937D+02 -0.656120D+01 -0.309454D+01
      3  -0.360427D+01 -0.714636D+01  0.623320D+02  0.118295D+02  0.811850D+01
      4   0.501416D+00 -0.277633D+00  0.557603D+00 -0.858755D+01  0.345834D+02
      5   0.649413D+01 -0.877539D+00 -0.549022D+01 -0.931748D+01  0.362870D+02
      6  -0.105427D+01  0.135870D+02  0.885767D+01  0.533485D+02 -0.985662D+01
                66            67            68            69            70 
      1  -0.102045D+02 -0.122963D+01  0.381734D+02 -0.293234D+02 -0.408834D+01
      2   0.432416D+01  0.799955D+01 -0.129289D+03 -0.509670D+02 -0.484166D+01
      3   0.588035D+01 -0.676992D+01  0.911152D+02  0.802905D+02  0.892999D+01
      4   0.429595D+02  0.701168D+01 -0.123090D+02  0.160194D+01  0.248807D+02
      5   0.500517D+02  0.621327D+01  0.810515D+01 -0.200960D+01  0.229541D+02
      6   0.142188D+01 -0.371339D+01 -0.385645D+02  0.166639D+03  0.530592D+01
                71            72            73            74            75 
      1  -0.403794D+02  0.347351D+01 -0.511276D+00  0.346716D+01  0.555086D+01
      2   0.140193D+03  0.228535D+02  0.566048D+00  0.158184D+01 -0.322372D+00
      3  -0.998132D+02 -0.263270D+02 -0.547724D-01 -0.504901D+01 -0.522849D+01
      4   0.480344D+01  0.707311D+01 -0.390918D+00  0.846423D+00 -0.152120D+01
      5  -0.815169D+01  0.573174D+01 -0.583138D+00 -0.280362D+00 -0.831752D+00
      6   0.126539D+03 -0.452483D+02 -0.901960D+00 -0.456078D+01 -0.891404D+01
                76            77            78            79            80 
      1   0.261939D+01 -0.325949D+02 -0.341801D+02  0.426418D+01 -0.422376D+02
      2  -0.160071D+01  0.210185D+02  0.179277D+02  0.100521D+01  0.315676D+01
      3  -0.101869D+01  0.115764D+02  0.162524D+02 -0.526939D+01  0.390808D+02
      4   0.542446D+01 -0.522292D+01 -0.295210D+01  0.612445D+01 -0.546261D+01
      5   0.406097D+01 -0.633886D+01 -0.483176D+01  0.890337D+01 -0.805340D+01
      6  -0.580257D+01  0.736722D+02  0.618196D+02 -0.970772D+01  0.860046D+02
                81            82            83            84            85 
      1  -0.603983D+02 -0.390263D+01 -0.726761D+01  0.431028D+01  0.152870D+01
      2  -0.116093D+02  0.401445D+02  0.918929D+01  0.125225D+00 -0.121196D+01
      3   0.720077D+02 -0.362419D+02 -0.192168D+01 -0.443550D+01 -0.316736D+00
      4  -0.753135D+01 -0.677552D+01  0.852427D+02  0.197537D+02  0.246050D+02
      5  -0.122398D+02 -0.106749D+01  0.297755D+02  0.545065D+01  0.833380D+01
      6   0.114993D+03  0.320639D+02  0.384783D+01 -0.131693D+02 -0.104299D+02
                86            87            88            89            90 
      1  -0.306750D+02 -0.461968D+02  0.458220D+01  0.769117D+01 -0.238635D+02
      2   0.496660D+02  0.423773D+02  0.162478D+01 -0.647339D+02  0.313628D+02
      3  -0.189910D+02  0.381946D+01 -0.620698D+01  0.570427D+02 -0.749933D+01
      4  -0.105276D+02 -0.314024D+01 -0.149087D+02 -0.163104D+02 -0.715896D+01
      5  -0.554839D+01 -0.527916D+01 -0.179773D+02  0.169242D+01 -0.351635D+01
      6   0.159916D+03  0.133617D+03 -0.101908D+02  0.620206D+02  0.131153D+03
                91            92            93            94            95 
      1   0.399708D+00  0.211744D+01 -0.166737D+01  0.186554D+01 -0.598856D+02
      2  -0.228021D+00 -0.511536D+01 -0.776193D+00 -0.657317D+01  0.157347D+03
      3  -0.171687D+00  0.299792D+01  0.244356D+01  0.470763D+01 -0.974614D+02
      4   0.257379D-01 -0.381523D+01 -0.241672D+01  0.103778D+02 -0.942999D+01
      5   0.182974D+00 -0.108531D+01 -0.397536D+00  0.209010D+01 -0.145805D+01
      6  -0.310403D+01 -0.948030D+01  0.755739D+00 -0.121043D+01  0.423495D+02
                96            97            98            99           100 
      1  -0.332398D+01 -0.932791D-02  0.900863D+01 -0.519521D+01  0.134056D+02
      2   0.744615D+01  0.809664D+00 -0.363761D+02  0.840084D+01  0.106925D+01
      3  -0.412217D+01 -0.800336D+00  0.273675D+02 -0.320562D+01 -0.144749D+02
      4   0.575658D+00 -0.218719D+01  0.286459D+00 -0.906227D+00  0.992566D+00
      5  -0.152600D+00  0.948966D+00 -0.136663D+01 -0.364949D+00 -0.228013D+00
      6   0.302109D+01 -0.109939D+01  0.129026D+02  0.600139D+01 -0.779941D+01
               101           102           103           104           105 
      1   0.261820D+00 -0.156647D+02 -0.671114D+00  0.337870D+02  0.170426D+02
      2   0.254393D+01  0.797238D+01  0.599171D+01 -0.704985D+02 -0.776734D+02
      3  -0.280575D+01  0.769234D+01 -0.532059D+01  0.367115D+02  0.606309D+02
      4   0.545100D+00 -0.308215D+01 -0.951769D+01  0.238334D+02  0.750901D+01
      5   0.622280D+01  0.367250D+01 -0.745067D+00  0.100988D+02  0.102168D+01
      6  -0.651616D+01  0.203250D+02  0.999739D+01 -0.195627D+03 -0.740016D+02
               106           107           108           109           110 
      1  -0.283187D+01  0.244924D+02  0.562217D+01  0.136416D+02 -0.222366D+01
      2   0.647368D+01 -0.555138D+02 -0.443720D+02  0.604382D+01  0.231779D+01
      3  -0.364181D+01  0.310215D+02  0.387498D+02 -0.196854D+02 -0.941303D-01
      4   0.699909D+01  0.158733D+02  0.517302D+01  0.403774D+01  0.190755D+02
      5   0.149913D+02 -0.685280D+01  0.149335D+01  0.184080D+01 -0.148864D+02
      6   0.925745D+01 -0.500193D+02 -0.749428D+02 -0.190712D+02  0.321559D+02
               111           112           113           114           115 
      1  -0.796289D+00  0.628608D+01 -0.685133D+02 -0.861569D+02 -0.820277D+00
      2   0.393115D+01 -0.840212D+01  0.785350D+02  0.933661D+02 -0.126834D+01
      3  -0.313486D+01  0.211604D+01 -0.100217D+02 -0.720928D+01  0.208862D+01
      4  -0.274821D+02 -0.324509D+01 -0.351691D+02 -0.169100D+02 -0.182389D+02
      5  -0.676192D+00 -0.104504D+02 -0.183083D+02 -0.157291D+02 -0.134984D+02
      6   0.122586D+02 -0.341085D+02  0.431738D+03  0.323492D+03  0.832762D+00
               116           117           118           119           120 
      1   0.113870D+02  0.254759D+02 -0.124936D+01  0.166747D+01  0.143801D+02
      2   0.167767D+02  0.222039D+02  0.272616D+01  0.536922D+01 -0.340710D+01
      3  -0.281637D+02 -0.476798D+02 -0.147681D+01 -0.703669D+01 -0.109730D+02
      4  -0.108710D+02 -0.225292D+01  0.126014D+01  0.614094D+01 -0.804481D+01
      5   0.979640D+01  0.406033D+01 -0.347198D-01 -0.807777D+01  0.212913D+01
      6  -0.478008D+02 -0.149785D+02 -0.432405D+01  0.234451D+02 -0.112655D+02
               121           122           123           124           125 
      1  -0.530687D+00 -0.187723D+02  0.564397D+01  0.332406D+00  0.513107D+01
      2   0.182955D+01  0.531959D+02 -0.286740D+02 -0.939293D+00 -0.188838D+02
      3  -0.129886D+01 -0.344236D+02  0.230301D+02  0.606887D+00  0.137527D+02
      4   0.719974D+01  0.396359D+01  0.574251D+01 -0.312729D+01 -0.378326D+01
      5  -0.284720D+01 -0.472808D+01  0.160778D+00  0.205554D+01 -0.134970D+01
      6   0.887602D+00 -0.148758D+02  0.259810D+02 -0.844834D+00  0.513880D+02
               126           127           128           129           130 
      1  -0.136446D+02 -0.209997D+02  0.250078D+02  0.582365D+02  0.669522D+01
      2   0.152764D+02  0.197260D+02 -0.342072D+02 -0.528963D+02 -0.573621D+01
      3  -0.163183D+01  0.127367D+01  0.919949D+01 -0.534025D+01 -0.959011D+00
      4   0.152970D+01 -0.107000D+02  0.341356D+01  0.391184D+00  0.256371D+01
      5  -0.129332D+01  0.360560D+02 -0.195691D+02 -0.173976D+02 -0.128426D+02
      6  -0.114531D+02  0.144699D+02 -0.337882D+02 -0.601644D+02 -0.949180D+01
               131           132           133           134           135 
      1  -0.392739D+01 -0.379508D+02  0.101547D+02 -0.214942D+02 -0.191040D+02
      2   0.145077D+02  0.187662D+02 -0.108618D+02  0.211270D+02  0.621929D+02
      3  -0.105803D+02  0.191845D+02  0.707119D+00  0.367215D+00 -0.430889D+02
      4  -0.141376D+01  0.711564D+01 -0.237699D+00 -0.100149D+02 -0.550254D+01
      5  -0.140204D+02  0.753530D+01 -0.122779D+02  0.425521D+01  0.675327D+01
      6   0.130982D+03  0.266308D+02 -0.200792D+02  0.887321D+02  0.106558D+03
               136           137           138           139           140 
      1   0.413261D+02 -0.151925D+02 -0.285077D+02 -0.351059D+01  0.382480D+01
      2  -0.288224D+02  0.216027D+02  0.428582D+02  0.319831D+01 -0.440476D+01
      3  -0.125037D+02 -0.641020D+01 -0.143505D+02  0.312275D+00  0.579961D+00
      4   0.103900D+02 -0.235723D+01 -0.839849D+01  0.556017D+01 -0.540700D+00
      5  -0.332943D+02  0.111182D+02  0.273205D+02  0.361881D+01 -0.315427D+01
      6  -0.168391D+02  0.604738D+01  0.482823D+02 -0.262776D+01 -0.403550D+01
               141           142           143           144           145 
      1   0.120270D+01  0.128176D+01  0.899757D+00  0.283997D+01 -0.776164D+01
      2  -0.117678D+01  0.512486D+01 -0.254288D+01 -0.135118D+02 -0.611788D+01
      3  -0.259174D-01 -0.640662D+01  0.164313D+01  0.106718D+02  0.138795D+02
      4  -0.125356D+01 -0.221278D+00 -0.367266D+00  0.333457D+01  0.190255D+02
      5  -0.275017D+01  0.822647D+01  0.210285D+00 -0.758900D+01 -0.425498D+02
      6   0.132367D+02  0.466016D+01 -0.267402D+02 -0.208663D+02  0.155494D+02
               146           147           148           149           150 
      1   0.207082D+01 -0.141110D+02  0.466135D+01  0.602762D+01  0.140676D+02
      2  -0.304157D+01 -0.274270D+01 -0.100163D+02 -0.237434D+02  0.345453D+02
      3   0.970751D+00  0.168537D+02  0.535490D+01  0.177158D+02 -0.486129D+02
      4  -0.877113D+01  0.375701D+01 -0.589128D+01 -0.136085D+02 -0.309703D+01
      5   0.112783D+02 -0.113535D+01  0.110235D+02  0.152174D+02 -0.143681D+01
      6   0.204296D+02  0.417182D+01  0.847120D+01  0.303943D+02  0.455601D+01
               151           152           153           154           155 
      1  -0.217765D+01  0.132844D+02  0.179876D+01  0.111441D+01 -0.251217D+01
      2  -0.378018D+01  0.145363D+02 -0.936687D+01  0.533521D+01  0.922761D+01
      3   0.595784D+01 -0.278207D+02  0.756811D+01 -0.644961D+01 -0.671544D+01
      4  -0.524992D+00  0.705281D+00 -0.877227D+01  0.565016D+01  0.115702D+02
      5   0.290597D+01 -0.208681D+01  0.119385D+02 -0.397815D+01 -0.116689D+02
      6  -0.262871D+01 -0.735918D+01 -0.459269D+02 -0.125314D+02 -0.185594D+02
               156           157           158           159           160 
      1   0.548542D+01 -0.315918D+01 -0.154933D+02  0.948844D+01  0.226341D+01
      2   0.406148D+01  0.828302D+01  0.361741D+02 -0.460636D+01  0.221802D+01
      3  -0.954690D+01 -0.512384D+01 -0.206808D+02 -0.488209D+01 -0.448143D+01
      4  -0.410424D+01  0.897737D+01  0.120286D+02 -0.313006D+01 -0.680099D+00
      5   0.552696D+01 -0.876348D+01 -0.117558D+02  0.390224D+01  0.199385D+01
      6   0.794344D+01 -0.113465D+02 -0.543056D+02  0.207294D+02  0.316471D+01
               161           162           163           164           165 
      1   0.391774D+01 -0.568207D+01  0.210070D+02 -0.350395D+01 -0.331344D+01
      2   0.700016D+00  0.351067D+01 -0.523477D+01 -0.202507D+01 -0.111350D+02
      3  -0.461776D+01  0.217140D+01 -0.157722D+02  0.552902D+01  0.144484D+02
      4  -0.108249D+01  0.421584D+01 -0.249641D+02  0.108094D+02 -0.640754D+01
      5   0.190995D+01 -0.608472D+01  0.445248D+02 -0.128774D+02  0.140195D+02
      6   0.152198D+02 -0.649587D+01 -0.174648D+02  0.114965D+02 -0.130849D+02
               166           167           168           169           170 
      1  -0.119919D+01  0.158096D+01 -0.403090D+00 -0.362957D+01 -0.172523D+01
      2  -0.200777D+01  0.437034D+01 -0.585238D+01 -0.350601D+01  0.987004D+00
      3   0.320696D+01 -0.595129D+01  0.625547D+01  0.713558D+01  0.738224D+00
      4   0.736384D+01 -0.428567D+01  0.259674D+01  0.335420D+00  0.266523D+00
      5  -0.574164D+01  0.647413D+01 -0.319593D+01  0.515491D+01 -0.132465D+01
      6   0.712305D+01 -0.777301D+01  0.223839D+01 -0.311361D+01  0.563716D+00
               171           172           173           174           175 
      1   0.170663D+01 -0.777585D+01 -0.711734D+01  0.254068D+02 -0.315078D+01
      2  -0.115433D+01  0.168989D+02 -0.236430D+01  0.182601D+02 -0.509559D+00
      3  -0.552307D+00 -0.912301D+01  0.948164D+01 -0.436669D+02  0.366034D+01
      4  -0.372121D+01 -0.904972D+01  0.578981D+00  0.296463D+01  0.163019D-01
      5   0.715547D+01  0.661502D+02  0.679074D+01 -0.184425D+02 -0.247256D+01
      6   0.484539D+01  0.576323D+01 -0.250410D+02  0.161720D+02 -0.152077D+02
               176           177           178           179           180 
      1   0.567558D+01 -0.351533D+02  0.103767D+02 -0.247767D+02  0.269364D+02
      2   0.767195D+01 -0.401211D+02  0.104645D+02 -0.296582D+02  0.121008D+02
      3  -0.133475D+02  0.752744D+02 -0.208412D+02  0.544349D+02 -0.390372D+02
      4   0.393228D+01 -0.187946D+01  0.898389D+00 -0.149408D+01  0.406351D+01
      5  -0.158834D+02  0.598688D+01 -0.693325D+01  0.472346D+01 -0.253303D+02
      6  -0.644958D+01 -0.222606D+02  0.728784D+01 -0.185539D+02  0.618869D+02
               181           182           183           184           185 
      1   0.192620D+02  0.206701D+01  0.157777D+01 -0.252520D+00  0.848473D+00
      2  -0.269829D+02  0.406772D-02  0.211952D+02  0.154904D+01 -0.267399D+01
      3   0.772085D+01 -0.207108D+01 -0.227729D+02 -0.129652D+01  0.182551D+01
      4   0.123683D+02  0.522446D+01 -0.554433D+01  0.605016D+01  0.165096D+01
      5  -0.758169D+02 -0.952928D+01  0.356461D+02  0.176002D+01 -0.721074D+01
      6  -0.957350D+01 -0.108861D+02  0.503413D+01 -0.772783D+01  0.655590D+00
               186           187           188           189           190 
      1   0.394743D+01  0.357041D+01  0.396946D+01 -0.318158D+01 -0.528291D+01
      2   0.241182D+01  0.785961D+01  0.405889D+01 -0.887912D+01 -0.104132D+02
      3  -0.635924D+01 -0.114300D+02 -0.802835D+01  0.120607D+02  0.156961D+02
      4  -0.184123D+01 -0.340977D+00 -0.553306D+00  0.132286D+01 -0.183866D+01
      5   0.428733D-01  0.115724D+02  0.661874D+00 -0.144428D+02  0.426773D+01
      6   0.846266D+01  0.167491D+01  0.582484D+01 -0.828027D+01 -0.103749D+02
               191           192           193           194           195 
      1   0.559304D+01 -0.171717D+02  0.289153D+01 -0.186449D+02  0.302765D+02
      2   0.391240D+01 -0.201477D+02  0.825968D+00 -0.954328D+01  0.234080D+02
      3  -0.950544D+01  0.373194D+02 -0.371750D+01  0.281881D+02 -0.536844D+02
      4   0.347512D+01 -0.545138D+01  0.304229D+01 -0.189701D+01  0.139429D+01
      5  -0.940460D+01  0.242564D+02 -0.644628D+01  0.719455D+01 -0.492519D+01
      6   0.136741D+02 -0.178576D+02  0.775838D+01 -0.321490D+02  0.482811D+02
               196           197           198           199           200 
      1  -0.704719D+01  0.226942D+02 -0.635278D+02 -0.777585D+01 -0.711734D+01
      2  -0.685518D+01  0.193295D+02 -0.660023D+02  0.168989D+02 -0.236430D+01
      3   0.139024D+02 -0.420236D+02  0.129530D+03 -0.912301D+01  0.948164D+01
      4  -0.279936D+01  0.997085D+00 -0.379662D+01 -0.904972D+01  0.578981D+00
      5   0.137643D+02 -0.333483D+01  0.161266D+02 -0.661502D+02 -0.679074D+01
      6  -0.649045D+01  0.311832D+02 -0.663373D+02 -0.576323D+01  0.250410D+02
               201           202           203           204           205 
      1  -0.254068D+02 -0.315078D+01  0.567558D+01  0.351533D+02 -0.103767D+02
      2  -0.182601D+02 -0.509559D+00  0.767195D+01  0.401211D+02 -0.104645D+02
      3   0.436669D+02  0.366034D+01 -0.133475D+02 -0.752744D+02  0.208412D+02
      4  -0.296463D+01  0.163019D-01  0.393228D+01  0.187946D+01 -0.898389D+00
      5  -0.184425D+02  0.247256D+01  0.158834D+02  0.598688D+01 -0.693325D+01
      6   0.161720D+02  0.152077D+02  0.644958D+01 -0.222606D+02  0.728784D+01
               206           207           208           209           210 
      1   0.247767D+02  0.269364D+02 -0.528291D+01  0.559304D+01  0.171717D+02
      2   0.296582D+02  0.121008D+02 -0.104132D+02  0.391240D+01  0.201477D+02
      3  -0.544349D+02 -0.390372D+02  0.156961D+02 -0.950544D+01 -0.373194D+02
      4   0.149408D+01  0.406351D+01 -0.183866D+01  0.347512D+01  0.545138D+01
      5   0.472346D+01  0.253303D+02 -0.426773D+01  0.940460D+01  0.242564D+02
      6  -0.185539D+02 -0.618869D+02  0.103749D+02 -0.136741D+02 -0.178576D+02
               211           212           213           214           215 
      1   0.289153D+01 -0.186449D+02 -0.302765D+02  0.704719D+01 -0.226942D+02
      2   0.825968D+00 -0.954328D+01 -0.234080D+02  0.685518D+01 -0.193295D+02
      3  -0.371750D+01  0.281881D+02  0.536844D+02 -0.139024D+02  0.420236D+02
      4   0.304229D+01 -0.189701D+01 -0.139429D+01  0.279936D+01 -0.997085D+00
      5   0.644628D+01 -0.719455D+01 -0.492519D+01  0.137643D+02 -0.333483D+01
      6  -0.775838D+01  0.321490D+02  0.482811D+02 -0.649045D+01  0.311832D+02
               216           217           218           219           220 
      1  -0.635278D+02  0.192620D+02  0.206701D+01 -0.157777D+01 -0.252520D+00
      2  -0.660023D+02 -0.269829D+02  0.406772D-02 -0.211952D+02  0.154904D+01
      3   0.129530D+03  0.772085D+01 -0.207108D+01  0.227729D+02 -0.129652D+01
      4  -0.379662D+01  0.123683D+02  0.522446D+01  0.554433D+01  0.605016D+01
      5  -0.161266D+02  0.758169D+02  0.952928D+01  0.356461D+02 -0.176002D+01
      6   0.663373D+02  0.957350D+01  0.108861D+02  0.503413D+01  0.772783D+01
               221           222           223           224           225 
      1   0.848473D+00 -0.394743D+01 -0.357041D+01 -0.396946D+01 -0.318158D+01
      2  -0.267399D+01 -0.241182D+01 -0.785961D+01 -0.405889D+01 -0.887912D+01
      3   0.182551D+01  0.635924D+01  0.114300D+02  0.802835D+01  0.120607D+02
      4   0.165096D+01  0.184123D+01  0.340977D+00  0.553306D+00  0.132286D+01
      5   0.721074D+01  0.428733D-01  0.115724D+02  0.661874D+00  0.144428D+02
      6  -0.655590D+00  0.846266D+01  0.167491D+01  0.582484D+01  0.828027D+01
               226           227           228           229           230 
      1  -0.776164D+01  0.207082D+01  0.141110D+02  0.466135D+01  0.602762D+01
      2  -0.611788D+01 -0.304157D+01  0.274270D+01 -0.100163D+02 -0.237434D+02
      3   0.138795D+02  0.970751D+00 -0.168537D+02  0.535490D+01  0.177158D+02
      4   0.190255D+02 -0.877113D+01 -0.375701D+01 -0.589128D+01 -0.136085D+02
      5   0.425498D+02 -0.112783D+02 -0.113535D+01 -0.110235D+02 -0.152174D+02
      6  -0.155494D+02 -0.204296D+02  0.417182D+01 -0.847120D+01 -0.303943D+02
               231           232           233           234           235 
      1  -0.140676D+02  0.217765D+01 -0.132844D+02  0.179876D+01  0.210070D+02
      2  -0.345453D+02  0.378018D+01 -0.145363D+02 -0.936687D+01 -0.523477D+01
      3   0.486129D+02 -0.595784D+01  0.278207D+02  0.756811D+01 -0.157722D+02
      4   0.309703D+01  0.524992D+00 -0.705281D+00 -0.877227D+01 -0.249641D+02
      5  -0.143681D+01  0.290597D+01 -0.208681D+01 -0.119385D+02 -0.445248D+02
      6   0.455601D+01 -0.262871D+01 -0.735918D+01  0.459269D+02  0.174648D+02
               236           237           238           239           240 
      1  -0.350395D+01  0.331344D+01 -0.119919D+01  0.158096D+01  0.403090D+00
      2  -0.202507D+01  0.111350D+02 -0.200777D+01  0.437034D+01  0.585238D+01
      3   0.552902D+01 -0.144484D+02  0.320696D+01 -0.595129D+01 -0.625547D+01
      4   0.108094D+02  0.640754D+01  0.736384D+01 -0.428567D+01 -0.259674D+01
      5   0.128774D+02  0.140195D+02  0.574164D+01 -0.647413D+01 -0.319593D+01
      6  -0.114965D+02 -0.130849D+02 -0.712305D+01  0.777301D+01  0.223839D+01
               241           242           243           244           245 
      1   0.362957D+01  0.172523D+01  0.170663D+01  0.111441D+01 -0.251217D+01
      2   0.350601D+01 -0.987004D+00 -0.115433D+01  0.533521D+01  0.922761D+01
      3  -0.713558D+01 -0.738224D+00 -0.552307D+00 -0.644961D+01 -0.671544D+01
      4  -0.335420D+00 -0.266523D+00 -0.372121D+01  0.565016D+01  0.115702D+02
      5   0.515491D+01 -0.132465D+01 -0.715547D+01  0.397815D+01  0.116689D+02
      6  -0.311361D+01  0.563716D+00 -0.484539D+01  0.125314D+02  0.185594D+02
               246           247           248           249           250 
      1  -0.548542D+01 -0.315918D+01 -0.154933D+02 -0.948844D+01 -0.226341D+01
      2  -0.406148D+01  0.828302D+01  0.361741D+02  0.460636D+01 -0.221802D+01
      3   0.954690D+01 -0.512384D+01 -0.206808D+02  0.488209D+01  0.448143D+01
      4   0.410424D+01  0.897737D+01  0.120286D+02  0.313006D+01  0.680099D+00
      5   0.552696D+01  0.876348D+01  0.117558D+02  0.390224D+01  0.199385D+01
      6   0.794344D+01  0.113465D+02  0.543056D+02  0.207294D+02  0.316471D+01
               251           252           253           254           255 
      1  -0.391774D+01 -0.568207D+01 -0.209997D+02  0.250078D+02 -0.582365D+02
      2  -0.700016D+00  0.351067D+01  0.197260D+02 -0.342072D+02  0.528963D+02
      3   0.461776D+01  0.217140D+01  0.127367D+01  0.919949D+01  0.534025D+01
      4   0.108249D+01  0.421584D+01 -0.107000D+02  0.341356D+01 -0.391184D+00
      5   0.190995D+01  0.608472D+01 -0.360560D+02  0.195691D+02 -0.173976D+02
      6   0.152198D+02  0.649587D+01 -0.144699D+02  0.337882D+02 -0.601644D+02
               256           257           258           259           260 
      1   0.669522D+01 -0.392739D+01  0.379508D+02 -0.101547D+02  0.214942D+02
      2  -0.573621D+01  0.145077D+02 -0.187662D+02  0.108618D+02 -0.211270D+02
      3  -0.959011D+00 -0.105803D+02 -0.191845D+02 -0.707119D+00 -0.367215D+00
      4   0.256371D+01 -0.141376D+01 -0.711564D+01  0.237699D+00  0.100149D+02
      5   0.128426D+02  0.140204D+02  0.753530D+01 -0.122779D+02  0.425521D+01
      6   0.949180D+01 -0.130982D+03  0.266308D+02 -0.200792D+02  0.887321D+02
               261           262           263           264           265 
      1  -0.191040D+02  0.413261D+02 -0.151925D+02  0.285077D+02 -0.351059D+01
      2   0.621929D+02 -0.288224D+02  0.216027D+02 -0.428582D+02  0.319831D+01
      3  -0.430889D+02 -0.125037D+02 -0.641020D+01  0.143505D+02  0.312275D+00
      4  -0.550254D+01  0.103900D+02 -0.235723D+01  0.839849D+01  0.556017D+01
      5  -0.675327D+01  0.332943D+02 -0.111182D+02  0.273205D+02 -0.361881D+01
      6  -0.106558D+03  0.168391D+02 -0.604738D+01  0.482823D+02  0.262776D+01
               266           267           268           269           270 
      1   0.382480D+01 -0.120270D+01 -0.128176D+01 -0.899757D+00  0.283997D+01
      2  -0.440476D+01  0.117678D+01 -0.512486D+01  0.254288D+01 -0.135118D+02
      3   0.579961D+00  0.259174D-01  0.640662D+01 -0.164313D+01  0.106718D+02
      4  -0.540700D+00  0.125356D+01  0.221278D+00  0.367266D+00  0.333457D+01
      5   0.315427D+01 -0.275017D+01  0.822647D+01  0.210285D+00  0.758900D+01
      6   0.403550D+01  0.132367D+02  0.466016D+01 -0.267402D+02  0.208663D+02
               271           272           273           274           275 
      1   0.136416D+02 -0.222366D+01  0.796289D+00  0.628608D+01 -0.685133D+02
      2   0.604382D+01  0.231779D+01 -0.393115D+01 -0.840212D+01  0.785350D+02
      3  -0.196854D+02 -0.941302D-01  0.313486D+01  0.211604D+01 -0.100217D+02
      4   0.403774D+01  0.190755D+02  0.274821D+02 -0.324509D+01 -0.351691D+02
      5  -0.184080D+01  0.148864D+02 -0.676192D+00  0.104504D+02  0.183083D+02
      6   0.190712D+02 -0.321559D+02  0.122586D+02  0.341085D+02 -0.431738D+03
               276           277           278           279           280 
      1   0.861569D+02  0.820277D+00 -0.113870D+02  0.254759D+02 -0.124936D+01
      2  -0.933661D+02  0.126834D+01 -0.167767D+02  0.222039D+02  0.272616D+01
      3   0.720928D+01 -0.208862D+01  0.281637D+02 -0.476798D+02 -0.147681D+01
      4   0.169100D+02  0.182389D+02  0.108710D+02 -0.225292D+01  0.126014D+01
      5  -0.157291D+02 -0.134984D+02  0.979640D+01 -0.406033D+01  0.347198D-01
      6   0.323492D+03  0.832762D+00 -0.478008D+02  0.149785D+02  0.432405D+01
               281           282           283           284           285 
      1   0.166747D+01 -0.143801D+02 -0.530687D+00 -0.187723D+02 -0.564397D+01
      2   0.536922D+01  0.340710D+01  0.182955D+01  0.531959D+02  0.286740D+02
      3  -0.703669D+01  0.109730D+02 -0.129886D+01 -0.344236D+02 -0.230301D+02
      4   0.614094D+01  0.804481D+01  0.719974D+01  0.396359D+01 -0.574251D+01
      5   0.807777D+01  0.212913D+01  0.284720D+01  0.472808D+01  0.160778D+00
      6  -0.234451D+02 -0.112655D+02 -0.887602D+00  0.148758D+02  0.259810D+02
               286           287           288           289           290 
      1  -0.332406D+00 -0.513107D+01 -0.136446D+02  0.134056D+02  0.261820D+00
      2   0.939293D+00  0.188838D+02  0.152764D+02  0.106925D+01  0.254392D+01
      3  -0.606887D+00 -0.137527D+02 -0.163183D+01 -0.144749D+02 -0.280575D+01
      4   0.312729D+01  0.378326D+01  0.152970D+01  0.992566D+00  0.545100D+00
      5   0.205554D+01 -0.134970D+01  0.129332D+01  0.228013D+00 -0.622280D+01
      6  -0.844834D+00  0.513880D+02  0.114531D+02  0.779941D+01  0.651616D+01
               291           292           293           294           295 
      1   0.156647D+02 -0.671114D+00  0.337870D+02 -0.170426D+02  0.283187D+01
      2  -0.797238D+01  0.599171D+01 -0.704985D+02  0.776734D+02 -0.647368D+01
      3  -0.769234D+01 -0.532059D+01  0.367115D+02 -0.606309D+02  0.364181D+01
      4   0.308215D+01 -0.951769D+01  0.238334D+02 -0.750901D+01 -0.699909D+01
      5   0.367250D+01  0.745067D+00 -0.100988D+02  0.102168D+01  0.149913D+02
      6   0.203250D+02 -0.999739D+01  0.195627D+03 -0.740016D+02  0.925745D+01
               296           297           298           299           300 
      1  -0.244924D+02  0.562217D+01 -0.390263D+01 -0.726761D+01 -0.431028D+01
      2   0.555138D+02 -0.443720D+02  0.401445D+02  0.918929D+01 -0.125225D+00
      3  -0.310215D+02  0.387498D+02 -0.362419D+02 -0.192168D+01  0.443550D+01
      4  -0.158733D+02  0.517302D+01 -0.677552D+01  0.852427D+02 -0.197537D+02
      5  -0.685280D+01 -0.149335D+01  0.106749D+01 -0.297755D+02  0.545065D+01
      6  -0.500193D+02  0.749428D+02 -0.320639D+02 -0.384783D+01 -0.131693D+02
               301           302           303           304           305 
      1   0.152870D+01 -0.306750D+02  0.461968D+02 -0.458220D+01 -0.769117D+01
      2  -0.121196D+01  0.496660D+02 -0.423773D+02 -0.162478D+01  0.647339D+02
      3  -0.316736D+00 -0.189910D+02 -0.381946D+01  0.620698D+01 -0.570427D+02
      4   0.246050D+02 -0.105276D+02  0.314024D+01  0.149087D+02  0.163104D+02
      5  -0.833380D+01  0.554839D+01 -0.527916D+01 -0.179773D+02  0.169242D+01
      6   0.104299D+02 -0.159916D+03  0.133617D+03 -0.101908D+02  0.620206D+02
               306           307           308           309           310 
      1  -0.238635D+02  0.399708D+00  0.211744D+01  0.166737D+01  0.186554D+01
      2   0.313628D+02 -0.228021D+00 -0.511536D+01  0.776193D+00 -0.657317D+01
      3  -0.749933D+01 -0.171687D+00  0.299792D+01 -0.244356D+01  0.470763D+01
      4  -0.715896D+01  0.257379D-01 -0.381523D+01  0.241672D+01  0.103778D+02
      5   0.351635D+01 -0.182974D+00  0.108531D+01 -0.397536D+00 -0.209010D+01
      6  -0.131153D+03  0.310403D+01  0.948030D+01  0.755739D+00  0.121043D+01
               311           312           313           314           315 
      1  -0.598856D+02  0.332398D+01  0.932791D-02 -0.900863D+01 -0.519521D+01
      2   0.157347D+03 -0.744615D+01 -0.809664D+00  0.363761D+02  0.840084D+01
      3  -0.974614D+02  0.412217D+01  0.800336D+00 -0.273675D+02 -0.320562D+01
      4  -0.942999D+01 -0.575658D+00  0.218719D+01 -0.286459D+00 -0.906227D+00
      5   0.145805D+01 -0.152600D+00  0.948966D+00 -0.136663D+01  0.364949D+00
      6  -0.423495D+02  0.302109D+01 -0.109939D+01  0.129026D+02 -0.600139D+01
               316           317           318           319           320 
      1  -0.526833D+01 -0.502396D+01  0.102045D+02 -0.122963D+01  0.381734D+02
      2  -0.656120D+01 -0.309454D+01 -0.432416D+01  0.799955D+01 -0.129289D+03
      3   0.118295D+02  0.811850D+01 -0.588035D+01 -0.676992D+01  0.911152D+02
      4  -0.858755D+01  0.345834D+02 -0.429595D+02  0.701168D+01 -0.123090D+02
      5   0.931748D+01 -0.362870D+02  0.500517D+02 -0.621327D+01 -0.810515D+01
      6  -0.533485D+02  0.985662D+01  0.142188D+01  0.371339D+01  0.385645D+02
               321           322           323           324           325 
      1   0.293234D+02  0.408834D+01  0.403794D+02  0.347351D+01 -0.511276D+00
      2   0.509670D+02  0.484166D+01 -0.140193D+03  0.228535D+02  0.566048D+00
      3  -0.802905D+02 -0.892999D+01  0.998132D+02 -0.263270D+02 -0.547724D-01
      4  -0.160194D+01 -0.248807D+02 -0.480344D+01  0.707311D+01 -0.390918D+00
      5  -0.200960D+01  0.229541D+02 -0.815169D+01 -0.573174D+01  0.583138D+00
      6   0.166639D+03  0.530592D+01  0.126539D+03  0.452483D+02  0.901960D+00
               326           327           328           329           330 
      1   0.346716D+01 -0.555086D+01  0.261939D+01 -0.325949D+02  0.341801D+02
      2   0.158184D+01  0.322372D+00 -0.160071D+01  0.210185D+02 -0.179277D+02
      3  -0.504901D+01  0.522849D+01 -0.101869D+01  0.115764D+02 -0.162524D+02
      4   0.846423D+00  0.152120D+01  0.542446D+01 -0.522292D+01  0.295210D+01
      5   0.280362D+00 -0.831752D+00 -0.406097D+01  0.633886D+01 -0.483176D+01
      6   0.456078D+01 -0.891404D+01  0.580257D+01 -0.736722D+02  0.618196D+02
               331           332           333           334           335 
      1  -0.426418D+01  0.422376D+02 -0.603983D+02  0.562043D+01  0.569216D+01
      2  -0.100521D+01 -0.315676D+01 -0.116093D+02 -0.266858D+02 -0.183044D+02
      3   0.526939D+01 -0.390808D+02  0.720077D+02  0.210653D+02  0.126123D+02
      4  -0.612445D+01  0.546261D+01 -0.753135D+01 -0.110009D+01  0.138008D+02
      5   0.890337D+01 -0.805340D+01  0.122398D+02  0.679663D+01 -0.331596D+02
      6  -0.970772D+01  0.860046D+02 -0.114993D+03 -0.326298D+02  0.546825D+02
               336           337           338           339           340 
      1   0.119789D+02  0.329086D+01 -0.442393D+02 -0.819564D+01 -0.854459D+00
      2   0.897802D+01 -0.127816D+02  0.150126D+03 -0.102540D+03  0.524847D+01
      3  -0.209569D+02  0.949072D+01 -0.105887D+03  0.110736D+03 -0.439401D+01
      4  -0.317086D+02 -0.996359D+01  0.388254D+01 -0.100096D+02 -0.105352D+01
      5   0.611554D+02  0.151075D+02  0.231120D+02  0.620976D+01  0.127393D+02
      6   0.863358D+01 -0.454224D+01 -0.215460D+03 -0.141413D+03 -0.762699D+01
               341           342           343           344           345 
      1   0.748597D+02  0.677102D+01  0.959320D+00  0.681036D-01 -0.414753D+01
      2  -0.814485D+02  0.184610D+01 -0.149989D+01  0.404473D+00 -0.361515D+01
      3   0.658876D+01 -0.861712D+01  0.540574D+00 -0.472577D+00  0.776267D+01
      4  -0.977187D+01 -0.714479D+01  0.522443D+00 -0.186613D+01  0.491249D+01
      5  -0.167113D+02 -0.485553D+00 -0.563176D+00  0.854144D+01 -0.436148D+01
      6   0.181541D+03  0.886104D+01  0.701786D+01 -0.939836D+01 -0.708799D+00
               346           347           348           349           350 
      1  -0.126493D+00 -0.295526D+01 -0.517954D+01 -0.685153D+00 -0.497261D+00
      2  -0.159482D+01 -0.793353D+01 -0.200413D+02 -0.291912D+01 -0.664909D+01
      3   0.172132D+01  0.108888D+02  0.252208D+02  0.360427D+01  0.714636D+01
      4   0.800945D+00  0.713304D+00  0.156029D+01 -0.501416D+00  0.277633D+00
      5   0.305438D+01  0.751941D+00  0.199453D+01  0.649413D+01 -0.877539D+00
      6   0.991412D+00  0.144475D+01  0.345782D+01 -0.105427D+01  0.135870D+02
               351 
      1  -0.189383D+02
      2  -0.433937D+02
      3   0.623320D+02
      4   0.557603D+00
      5   0.549022D+01
      6  -0.885767D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.219508D+01      0.557934D+01      0.186107D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z         -0.219508D+01     -0.557934D+01     -0.186107D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.253669D+03      0.375899D+02      0.418244D+02
   aniso      0.183455D+03      0.271853D+02      0.302477D+02
   xx         0.133442D+03      0.197740D+02      0.220016D+02
   yx        -0.865866D+01     -0.128308D+01     -0.142762D+01
   yy         0.296385D+03      0.439197D+02      0.488673D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.331181D+03      0.490760D+02      0.546044D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.296175D+03      0.438886D+02      0.488327D+02
   aniso      0.230848D+03      0.342081D+02      0.380617D+02
   xx         0.143635D+03      0.212846D+02      0.236823D+02
   yx        -0.116935D+02     -0.173280D+01     -0.192800D+01
   yy         0.359195D+03      0.532273D+02      0.592233D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.385695D+03      0.571541D+02      0.635925D+02

 ----------------------------------------------------------------------

 Dipole orientation:
    28          0.00000000         -0.00000000         -1.23304630
     7         -0.15664318         -2.89404942         -3.36279032
     7          0.06639553         -2.37889685          1.39216124
     7         -0.06639553          2.37889685          1.39216124
     7          0.15664318          2.89404942         -3.36279032
     6         -0.32957768         -3.56482471         -5.79546310
     1         -0.36016857         -2.17256710         -7.28293645
     6         -0.46614252         -6.21048475         -6.02064287
     1         -0.61539309         -7.25758578         -7.76094268
     6         -0.37378027         -7.19158898         -3.57424500
     1         -0.43324239         -9.15356312         -3.02723354
     6         -0.18340926         -5.10590771         -1.94816024
     6         -0.00000000         -4.72920025          0.68332686
     1          0.10697740         -6.28452989          2.01950874
     6          0.59831375         -1.32401204          3.87124381
     1          2.65407877         -1.04603900          3.98167751
     6         -0.23525201         -2.81712812          6.18258673
     1          0.63905435         -4.68614662          6.20208870
     1         -2.28281939         -3.10054924          6.11140641
     6          0.50494049         -1.35689895          8.57616675
     1          2.56859890         -1.31301384          8.71803038
     1         -0.17628877         -2.35816466         10.24659582
     6         -0.50494049          1.35689895          8.57616675
     1          0.17628877          2.35816466         10.24659582
     1         -2.56859890          1.31301384          8.71803038
     6          0.23525201          2.81712812          6.18258673
     1          2.28281939          3.10054924          6.11140641
     1         -0.63905435          4.68614662          6.20208870
     6         -0.59831375          1.32401204          3.87124381
     1         -2.65407877          1.04603900          3.98167751
     6         -0.00000000          4.72920025          0.68332686
     1         -0.10697740          6.28452989          2.01950874
     6          0.18340926          5.10590771         -1.94816024
     6          0.37378027          7.19158898         -3.57424500
     1          0.43324239          9.15356312         -3.02723354
     6          0.46614252          6.21048475         -6.02064287
     1          0.61539309          7.25758578         -7.76094268
     6          0.32957768          3.56482471         -5.79546310
     1          0.36016857          2.17256710         -7.28293645

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.219508D+01      0.557934D+01      0.186107D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.219508D+01      0.557934D+01      0.186107D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.253669D+03      0.375899D+02      0.418244D+02
   aniso      0.183455D+03      0.271853D+02      0.302477D+02
   xx         0.133442D+03      0.197740D+02      0.220016D+02
   yx         0.865866D+01      0.128308D+01      0.142762D+01
   yy         0.296385D+03      0.439197D+02      0.488673D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.331181D+03      0.490760D+02      0.546044D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.296175D+03      0.438886D+02      0.488327D+02
   aniso      0.230848D+03      0.342081D+02      0.380617D+02
   xx         0.143635D+03      0.212846D+02      0.236823D+02
   yx         0.116935D+02      0.173280D+01      0.192800D+01
   yy         0.359195D+03      0.532273D+02      0.592233D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.385695D+03      0.571541D+02      0.635925D+02

 ----------------------------------------------------------------------
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 IT IS BETTER TO THINK YOU ARE HALF DRY THAN TO KNOW YOU
 ARE ALL WET.  -- SNOOPY
 Job cpu time:       1 days  0 hours  2 minutes  1.5 seconds.
 Elapsed time:       0 days  3 hours  0 minutes 18.2 seconds.
 File lengths (MBytes):  RWF=   1030 Int=      0 D2E=      0 Chk=     41 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep  6 14:32:37 2021.
